Database Links

Essential protein databases and repositories for structural biology and computational protein design

Primary Databases

Protein Data Bank (PDB)

The worldwide repository for 3D structural data of biological macromolecules

Structure Database200,000+ entries

Key Features:

  • 3D structure viewer
  • Advanced search
  • API access
  • Educational resources

Download Formats:

PDBmmCIFXML
UniProt

Comprehensive resource for protein sequence and annotation data

Sequence Database230M+ entries

Key Features:

  • Sequence search
  • Functional annotation
  • Cross-references
  • Proteome data

Download Formats:

FASTAXMLTSVExcel
AlphaFold Protein Structure Database

AI-predicted protein structures covering the human proteome and key organisms

Predicted Structures200M+ entries

Key Features:

  • Confidence scores
  • 3D viewer
  • Bulk download
  • API access

Download Formats:

PDBmmCIF
SCOP2

Structural Classification of Proteins database for evolutionary relationships

Classification70,000+ entries

Key Features:

  • Hierarchical classification
  • Evolutionary analysis
  • Structure comparison

Download Formats:

TextXML

Specialized Databases

Enzyme Databases

BRENDA

Comprehensive enzyme information system

Focus: Enzyme kinetics, structure, function

Access Database
KEGG

Kyoto Encyclopedia of Genes and Genomes

Focus: Metabolic pathways, enzyme reactions

Access Database
ExPASy

SIB Bioinformatics Resource Portal

Focus: Proteomics tools and databases

Access Database

Membrane Proteins

OPM

Orientations of Proteins in Membranes

Focus: Membrane protein structures and orientations

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MPSTRUC

Membrane Protein Structures

Focus: Curated membrane protein structures

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Protein Families

Pfam

Protein families database based on multiple sequence alignments

Focus: Protein domain families and HMMs

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InterPro

Integrated resource of protein families, domains and sites

Focus: Protein classification and functional analysis

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CATH

Class, Architecture, Topology, Homology protein structure classification

Focus: Hierarchical protein structure classification

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Dynamics & Flexibility

MoDEL

Molecular Dynamics Extended Library

Focus: MD simulation data and analysis

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DynaMine

Protein backbone dynamics prediction

Focus: Backbone flexibility prediction

Access Database

API Examples

PDB API
GET

Get structure metadata for PDB entry 1ABC

GET https://data.rcsb.org/rest/v1/core/entry/1ABC
UniProt API
GET

Get FASTA sequence for UniProt entry P04637

GET https://rest.uniprot.org/uniprotkb/P04637.fasta
AlphaFold API
GET

Get AlphaFold prediction for UniProt ID P04637

GET https://alphafold.ebi.ac.uk/api/prediction/P04637

Search Tips & Best Practices

Use Advanced Search

Most databases offer advanced search options with filters for resolution, method, organism, etc.

Cross-Reference IDs

Use UniProt IDs to find corresponding PDB structures and AlphaFold predictions

Check Data Quality

Always verify resolution, R-factors, and confidence scores before using structures

Use Bulk Downloads

For large datasets, use FTP sites or APIs rather than individual downloads