MolNFT v1 · #109897 · protein
Crystal structure of bamb and bama P3-5 complex from E.COLI
4XGA · Outer membrane protein assembly factor bamb: “Crystal structure of bamb and bama P3-5 complex from E.COLI”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.77). MolNFT v1 #109897 on GenesisL1: 3D structure, binding…
- PDB
- 4XGA
- Type
- protein
- Length
- 521 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Outer membrane protein assembly factor bamb; Outer membrane protein assembly factor bama
- UniProt
- P77774, P0A940
- Ligands
- CA
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Outer membrane protein assembly factor bamb | protein | 347 | 0% helix, 48% strand | P77774 |
| B | Outer membrane protein assembly factor bama | protein | 174 | 24% helix, 33% strand | P0A940 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.77 | 0.89 | 48 | empty |
| 2 | 279 | 0.52 | 0.75 | 30 | empty |
| 3 | 166 | 0.44 | 0.75 | 28 | empty |
| 4 | 62 | 0.41 | 0.80 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 888 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 4XGA · Crystal structure of BamB and BamA P3-5 complex from E.coli · the same entry in another collection · chain B against B, TM-score 1.00
- P77774 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bamb (P77774) · a predicted model of the same protein · chain A against A, TM-score 0.98
- P0A940 · AlphaFold monomer V2.0 prediction for outer membrane protein assembly factor bama (P0A940) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 P77774
- Every structure of UniProt P0A940
- Elsewhere: RCSB PDB 4XGA · PDBe 4XGA · UniProt P77774 · UniProt P0A940
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