MolNFT v1 · #38913 · protein
Crystal structure of the colicin I receptor cir from E.COLI
2HDF: “Crystal structure of the colicin I receptor cir from E.COLI”. X-ray diffraction, 2 ligands (OES, SR), 7 pockets (best druggability 0.85). MolNFT v1 #38913 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HDF
- Type
- protein
- Length
- 584 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Colicin I receptor
- UniProt
- P17315
- Ligands
- OES, SR
- Pockets
- 7 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Colicin I receptor | protein | 584 | 7% helix, 59% strand | P17315 |
Ligands and binding sites
- OES · N-octyl-2-hydroxyethyl sulfoxide · ligand · 2 copies · chains A
- SR · Strontium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1065 | 0.85 | 0.86 | 113 | empty |
| 2 | 303 | 0.75 | 0.87 | 48 | SR |
| 3 | 94 | 0.75 | 0.97 | 23 | empty |
| 4 | 640 | 0.74 | 0.81 | 64 | empty |
| 5 | 434 | 0.70 | 0.82 | 50 | empty |
Modifications
Observed in the structure: 10 modified, 1 disulfide (engineered, disulfide).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P17315
- Elsewhere: RCSB PDB 2HDF · PDBe 2HDF · UniProt P17315
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