Emdb database
Skill jaechang-hits/SciAgent-Skills/skills/structural-biology-drug-discovery/emdb-database
197 bioinformatics & life science skills for Claude Code and AI agents — BixBench 92.0% accuracy. RNA-seq, single-cell, drug discovery, proteomics, and more. Powers OmicsHorizon.
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Look up EMDB cryo-EM density maps and fitted atomic models via the entry REST API + EBI Search WS. Fetch entry metadata (resolution, method, organism, sample), map download URLs, fitted PDB IDs, and citations. Keyword search via EBI Search. No auth. For atomic coordinates use pdb-database; for AlphaFold predictions use alphafold-database-access.
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SKILL.md
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EMDB Database
Overview
The Electron Microscopy Data Bank (EMDB) at EBI archives 3D electron microscopy density maps — primarily cryo-EM and cryo-ET — for macromolecular assemblies (30,000+ entries: ribosomes, membrane proteins, viruses, large complexes). Access is split across two services:
- EMDB Entry API (
https://www.ebi.ac.uk/emdb/api/entry/{EMD-XXXXX}) — the canonical per-entry JSON containing metadata, map header, fitted PDB list, and citation. Sub-endpoints like/map,/fitted,/publicationsdo not exist — all those data live inside the single entry response. - EBI Search WS (
https://www.ebi.ac.uk/ebisearch/ws/rest/emdb) — the real keyword search backend (the barehttps://www.ebi.ac.uk/emdb/api/search/endpoint ignores the query and just returns recent entries).
No authentication or API key is required.
When to Use
- Finding cryo-EM density maps by keyword (e.g., "spike protein", "ribosome 70S")
- Fetching the download URL of a
.map.gzdensity file for use in ChimeraX / PyMOL - Identifying fitted PDB atomic models for an EMDB map (and the reverse)
- Retrieving entry metadata — resolution, reconstruction method, organism, sample
- Listing cryo-EM structures filtered by organism or resolution cutoff
- Pulling the primary citation (journal, DOI, PubMed ID) for an EMDB entry
- Use
pdb-databaseinstead when you need experimentally determined atomic coordinates - Use
alphafold-database-accessfor AI-predicted structures; EMDB is for experimental EM maps only
Prerequisites
- Python packages:
requests,pandas,matplotlib - Data requirements: EMDB entry IDs (
EMD-XXXXX), keyword search strings, or PDB IDs for cross-referencing - Environment: internet connection; no API key
- Rate limits: no official published limits; add
time.sleep(0.2)between requests in batch loops for polite access
pip install requests pandas matplotlib
Quick Start
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
EBI_SEARCH = "https://www.ebi.ac.uk/ebisearch/ws/rest/emdb"
# Keyword search via EBI Search WS (NOT /emdb/api/search/, which ignores q=)
r = requests.get(EBI_SEARCH,
params={"query": "sars-cov-2 spike", "size": 5, "format": "json",
"fields": "id,name,resolution,em_method,organism"},
timeout=30)
r.raise_for_status()
res = r.json()
print(f"Total hits: {res['hitCount']}")
for e in res["entries"]:
f = e["fields"]
name = (f.get("name") or [""])[0][:60]
resol = (f.get("resolution") or ["?"])[0]
print(f" {e['id']}: {name} ({resol} Å)")
Core API
Query 1: Keyword Search (EBI Search WS)
Returns a paged hit list keyed by EMDB ID, with the requested fields per entry.
import requests, pandas as pd
EBI_SEARCH = "https://www.ebi.ac.uk/ebisearch/ws/rest/emdb"
def emdb_search(query, size=20, start=0,
fields="id,name,resolution,em_method,organism"):
r = requests.get(EBI_SEARCH,
params={"query": query, "size": size, "start": start,
"format": "json", "fields": fields},
timeout=30)
r.raise_for_status()
return r.json()
data = emdb_search("ribosome 70S", size=10)
rows = []
for e in data["entries"]:
f = e["fields"]
rows.append({
"emdb_id": e["id"],
"name": (f.get("name") or [""])[0],
"resolution_A": float((f.get("resolution") or [0])[0] or 0) or None,
"em_method": (f.get("em_method") or [""])[0],
"organism": (f.get("organism") or [""])[0],
})
df = pd.DataFrame(rows)
print(f"hitCount={data['hitCount']}; first {len(df)} rows:")
print(df.to_string(index=False))
# Paged retrieval — iterate `start` until exhausting hitCount
def emdb_search_all(query, size=100, max_pages=5,
fields="id,name,resolution,em_method"):
out = []
for page in range(max_pages):
d = emdb_search(query, size=size, start=page * size, fields=fields)
if not d["entries"]:
break
out.extend(d["entries"])
if len(out) >= d["hitCount"]:
break
return out
hits = emdb_search_all("ferritin", size=50, max_pages=2)
print(f"Pulled {len(hits)} ferritin entries")
Query 2: Entry Metadata
The single entry endpoint returns all metadata, the map header, fitted PDB list, and the citation in one document. Read field paths carefully — most are nested.
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
def emdb_entry(emdb_id):
r = requests.get(f"{EMDB_API}/entry/{emdb_id}", timeout=30)
r.raise_for_status()
return r.json()
e = emdb_entry("EMD-30210") # nsp12-nsp7-nsp8 + Remdesivir (RdRp)
print(f"Title : {e['admin']['title']}")
print(f"Status : {e['admin']['current_status']}")
print(f"Key dates : {e['admin'].get('key_dates')}")
sd = e["structure_determination_list"]["structure_determination"][0]
ip = sd["image_processing"][0]
res = ip["final_reconstruction"]["resolution"]
print(f"Method : {sd['method']}")
print(f"Resolution : {res['valueOf_']} {res['units']} (type: {res['res_type']})")
Query 3: Map Header / Download Info
entry["map"] contains the file name, format, voxel grid, axis order, cell, contour level(s), and recommended display threshold.
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
e = requests.get(f"{EMDB_API}/entry/EMD-30210", timeout=30).json()
m = e["map"]
print(f"Map file : {m.get('file')}") # e.g. emd_30210.map.gz
print(f"Format : {m.get('format')}") # 'CCP4'
print(f"Dimensions : {m.get('dimensions')}") # {'col': ..., 'row': ..., 'sec': ...}
print(f"Axis order : {m.get('axis_order')}") # {'fast': 'X', 'medium': 'Y', 'slow': 'Z'}
print(f"Contour list : {m.get('contour_list')}") # recommended threshold(s)
# Conventional FTP/HTTPS download URL pattern (mirror at EBI):
EMDB_FTP = "https://ftp.ebi.ac.uk/pub/databases/emdb/structures"
emdb_num = "EMD-30210"
print(f"Download URL : {EMDB_FTP}/{emdb_num}/map/{m['file']}")
Query 4: Fitted PDB Atomic Models
EMDB cross-references the PDB entries that fitted into the map. Each item has the PDB ID and a relationship tag (e.g., FULLOVERLAP).
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
e = requests.get(f"{EMDB_API}/entry/EMD-30210", timeout=30).json()
pdblist = e.get("crossreferences", {}).get("pdb_list", {})
pdb_refs = pdblist.get("pdb_reference", []) if isinstance(pdblist, dict) else []
print(f"Fitted PDB entries: {len(pdb_refs)}")
for ref in pdb_refs:
in_frame = (ref.get("relationship") or {}).get("in_frame")
print(f" {ref['pdb_id'].upper():6s} relationship={in_frame}")
# 7BV2 relationship=FULLOVERLAP
Query 5: Citation and Publications
Primary citation lives at entry["crossreferences"]["citation_list"]. The shape varies by citation type (journal vs. preprint).
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
e = requests.get(f"{EMDB_API}/entry/EMD-30210", timeout=30).json()
citations = e.get("crossreferences", {}).get("citation_list", {})
primary = citations.get("primary_citation", {})
ct = primary.get("citation_type") or primary
title = (ct.get("title") or "").strip()
journal = ct.get("journal") or ct.get("book_title")
year = ct.get("year")
authors = [a.get("name") or a.get("name_str")
for a in (ct.get("author") or ct.get("author_order") or [])
if a]
xrefs = ct.get("external_references", []) or ct.get("xref", [])
doi = next((x.get("valueOf_") for x in xrefs if x.get("type") == "DOI"), None)
pmid = next((x.get("valueOf_") for x in xrefs if x.get("type") == "PUBMED"), None)
print(f"Title : {title[:80]}")
print(f"Journal : {journal} ({year})")
print(f"Authors : {', '.join(a for a in authors[:5] if a)}{'...' if len(authors) > 5 else ''}")
print(f"DOI : {doi}")
print(f"PMID : {pmid}")
Query 6: Sample and Organism
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
e = requests.get(f"{EMDB_API}/entry/EMD-30210", timeout=30).json()
sample = e.get("sample", {})
sm_list = (sample.get("supramolecule_list") or {}).get("supramolecule", [])
for sm in sm_list:
ns = sm.get("natural_source") or sm.get("natural_source_list", {}).get("natural_source") or []
if isinstance(ns, dict):
ns = [ns]
for n in ns:
org = (n.get("organism") or {}).get("valueOf_")
print(f" Supramolecule '{sm.get('name', {}).get('valueOf_', '?')}': {org}")
Key Concepts
Field-Path Map (/api/entry/{id} document)
| What | Path |
|---|---|
| Title | admin.title |
| Release dates | admin.key_dates |
| Authors | admin.authors_list.author[*].name/name_str |
| EM method | structure_determination_list.structure_determination[0].method (e.g. singleParticle, tomography) |
| Resolution | structure_determination_list.structure_determination[0].image_processing[0].final_reconstruction.resolution.valueOf_ (string Å; cast to float) |
| Map file name | map.file |
| Map format/dims | map.format / map.dimensions |
| Contour level(s) | map.contour_list |
| Fitted PDB | crossreferences.pdb_list.pdb_reference[*].pdb_id |
| Citation | crossreferences.citation_list.primary_citation.citation_type (journal/year/title/authors/external_references) |
| DOI/PubMed | …citation_type.external_references[] with type in {DOI, PUBMED} |
| Organism | sample.supramolecule_list.supramolecule[*].natural_source[*].organism.valueOf_ |
Search vs. Entry
- Keyword search → EBI Search WS (
/ebisearch/ws/rest/emdb). Use this forquery=,size=,start=, andfields=selection. /emdb/api/search/is unreliable — it silently ignoresq=and returns the latest released entries. Don't depend on it.- Entry detail →
/emdb/api/entry/{EMD-XXXXX}. There is no/map,/fitted, or/publicationssub-endpoint — they're all inside the entry document.
Common Workflows
Workflow 1: Resolution Filter for a Topic
Goal: Find SARS-CoV-2 spike entries at high resolution and report their fitted PDB models.
import requests, time, pandas as pd
EBI_SEARCH = "https://www.ebi.ac.uk/ebisearch/ws/rest/emdb"
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
# Step 1: keyword search via EBI Search
hits = []
for start in (0, 50):
r = requests.get(EBI_SEARCH,
params={"query": "sars-cov-2 spike", "size": 50, "start": start,
"format": "json", "fields": "id,name,resolution"},
timeout=30)
r.raise_for_status()
hits.extend(r.json()["entries"])
time.sleep(0.2)
# Step 2: filter to resolution ≤ 3.0 Å (skip entries with missing field)
rows = []
for h in hits:
f = h["fields"]
name = (f.get("name") or [""])[0]
try:
resol = float((f.get("resolution") or [None])[0])
except (TypeError, ValueError):
continue
if resol <= 3.0:
rows.append({"emdb_id": h["id"], "resolution_A": resol, "name": name[:60]})
df = pd.DataFrame(rows).sort_values("resolution_A")
print(f"Spike entries ≤ 3.0 Å: {len(df)}")
print(df.head(10).to_string(index=False))
# Step 3: pull fitted PDB ids for the top 5
for emdb_id in df["emdb_id"].head(5):
e = requests.get(f"{EMDB_API}/entry/{emdb_id}", timeout=30).json()
pdblist = e.get("crossreferences", {}).get("pdb_list", {}) or {}
pdbs = [p["pdb_id"].upper() for p in pdblist.get("pdb_reference", [])]
print(f" {emdb_id} -> PDB: {', '.join(pdbs) if pdbs else '(none fitted)'}")
time.sleep(0.2)
Workflow 2: Build a Cohort Metadata Table
Goal: For a query, return a DataFrame with method, resolution, organism, and map download URL — useful for survey papers.
import requests, time, pandas as pd
EBI_SEARCH = "https://www.ebi.ac.uk/ebisearch/ws/rest/emdb"
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
EMDB_FTP = "https://ftp.ebi.ac.uk/pub/databases/emdb/structures"
def cohort_table(query, size=10):
r = requests.get(EBI_SEARCH,
params={"query": query, "size": size, "format": "json", "fields": "id"},
timeout=30)
r.raise_for_status()
rows = []
for h in r.json()["entries"]:
emdb_id = h["id"]
e = requests.get(f"{EMDB_API}/entry/{emdb_id}", timeout=30).json()
sd = e["structure_determination_list"]["structure_determination"][0]
ip = sd["image_processing"][0]
try:
resol = float(ip["final_reconstruction"]["resolution"]["valueOf_"])
except (KeyError, ValueError, TypeError):
resol = None
m = e["map"]
rows.append({
"emdb_id": emdb_id,
"title": e["admin"]["title"][:60],
"method": sd.get("method"),
"resolution_A": resol,
"map_url": f"{EMDB_FTP}/{emdb_id}/map/{m['file']}" if m.get("file") else None,
})
time.sleep(0.2)
return pd.DataFrame(rows)
df = cohort_table("ribosome 70S bacterial", size=6)
print(df.to_string(index=False))
df.to_csv("emdb_cohort.csv", index=False)
Key Parameters
| Parameter | Endpoint | Default | Range / Options | Effect |
|---|---|---|---|---|
query | EBI Search /emdb | required | text search string | Keyword to match |
size | EBI Search /emdb | 15 | 1–100 | Hits per page |
start | EBI Search /emdb | 0 | non-negative int | Pagination offset |
fields | EBI Search /emdb | (subset) | comma-separated EBI Search fields | Which per-hit fields to return (id,name,resolution,em_method,organism, etc.) |
format | EBI Search /emdb | json | json, xml | Response format |
(path) {EMD-XXXXX} | /api/entry/{id} | required | EMDB accession | Single-entry detail |
Best Practices
- Always use EBI Search WS for keyword search.
https://www.ebi.ac.uk/emdb/api/search/ignoresq=and just returns the latest releases — relying on it produces silently wrong cohorts. - There are no sub-endpoints. Don't call
/api/entry/{id}/map,/fitted,/publications, or/api/statistics/— all return 404 (or HTML for/statistics/). Read everything from the single entry document. - Cast
resolution.valueOf_to float explicitly. The field is a string like"2.5"; numeric filters need an explicit cast (withtry/exceptfor entries that lack a value). - EBI Search field values arrive as lists. Even single-valued fields like
namecome as{"name": ["..."]}— always index[0]or join. - Add
time.sleep(0.2)in entry-by-entry loops. No rate limit is published, but the API is hosted on a shared service; polite spacing avoids transient 502s. - Map download URLs follow
https://ftp.ebi.ac.uk/pub/databases/emdb/structures/{EMDB_ID}/map/{file}— derive them fromentry["map"]["file"], don't hardcode.
Common Recipes
Recipe: PDB → EMDB Cross-Reference
import requests
# Given an EMDB ID, get its fitted PDB; given a PDB ID, you'd query
# RCSB PDB /rest/v2/entry/{pdb_id} and read `rcsb_external_references.emdb_id`.
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
e = requests.get(f"{EMDB_API}/entry/EMD-30210", timeout=30).json()
pdblist = e.get("crossreferences", {}).get("pdb_list") or {}
print({"emdb": e["emdb_id"],
"pdbs": [p["pdb_id"].upper() for p in pdblist.get("pdb_reference", [])]})
Recipe: Top Resolutions for an Organism
import requests, time, pandas as pd
EBI_SEARCH = "https://www.ebi.ac.uk/ebisearch/ws/rest/emdb"
def best_by_organism(organism, size=50):
r = requests.get(EBI_SEARCH,
params={"query": f'organism:"{organism}"', "size": size,
"format": "json", "fields": "id,name,resolution"},
timeout=30)
r.raise_for_status()
rows = []
for h in r.json()["entries"]:
f = h["fields"]
try:
resol = float((f.get("resolution") or [None])[0])
except (TypeError, ValueError):
continue
rows.append({"emdb_id": h["id"], "resolution_A": resol,
"name": (f.get("name") or [""])[0][:60]})
return pd.DataFrame(rows).sort_values("resolution_A").reset_index(drop=True)
df = best_by_organism("Saccharomyces cerevisiae", size=20)
print(df.head(8).to_string(index=False))
Recipe: Citation Export (BibTeX-ready)
import requests
EMDB_API = "https://www.ebi.ac.uk/emdb/api"
e = requests.get(f"{EMDB_API}/entry/EMD-30210", timeout=30).json()
ct = (e.get("crossreferences", {})
.get("citation_list", {})
.get("primary_citation", {})
.get("citation_type")) or {}
authors = [a.get("name") or a.get("name_str")
for a in (ct.get("author") or ct.get("author_order") or [])]
xrefs = ct.get("external_references", []) or ct.get("xref", [])
doi = next((x.get("valueOf_") for x in xrefs if x.get("type") == "DOI"), "")
print({"title": (ct.get("title") or "").strip(),
"journal": ct.get("journal"),
"year": ct.get("year"),
"authors_n": len(authors),
"doi": doi})
Troubleshooting
| Problem | Cause | Solution |
|---|---|---|
KeyError: 'results' or 'numFound' on EMDB search | /api/search/ returns a raw JSON array and ignores q= | Use EBI Search WS (/ebisearch/ws/rest/emdb) — wrapper is {hitCount, entries, facets} |
HTTP 404 on /api/entry/{id}/map (or /fitted, /publications) | These sub-endpoints don't exist | Read entry["map"], entry["crossreferences"]["pdb_list"], entry["crossreferences"]["citation_list"] from the single entry response |
| Resolution comes back as a string | EMDB stores numeric fields as strings | float(entry[...]['resolution']['valueOf_']) — wrap in try/except |
| EBI Search fields look like single-element lists | EBI Search returns multi-valued fields as lists | Read f["name"][0] (or fall back to (... or [""])[0]) |
Empty entries from EBI Search | Wrong field qualifier or typo | Drop the field qualifier, search plain text; check at https://www.ebi.ac.uk/ebisearch/ |
HTML response from /api/statistics/ | /statistics/ returns HTML, not JSON | Endpoint is for the web UI; don't call it programmatically |
pdb_list is {} for an entry | Map has no fitted atomic model | This is genuine — many tomograms / sub-tomogram averages lack fitted PDB |
Related Skills
pdb-database— RCSB PDB for the atomic-model side of EMDB cross-referencesalphafold-database-access— AI-predicted structures (complement to experimental EMDB maps)uniprot-protein-database— Resolve organism / sequence context for an EMDB samplecellxgene-census— Tissue/cell-type expression data complementary to structural surveys
References
- EMDB at EBI — Browse, download, statistics, deposition
- EMDB Entry API — Example entry JSON
- EBI Search WS — EMDB — Keyword search docs
- EMDB FTP mirror — Density map and metadata downloads
- Lawson CL et al. "EMDB — the Electron Microscopy Data Bank." Nucleic Acids Research 52(D1): D456–D465 (2024). https://doi.org/10.1093/nar/gkad1019