MolNFT v1 · #152836 · protein
Crystal structure of a bacterial bestrophin homolog from klebsiella pneumoniae with a mutation I180A
6IV0: “Crystal structure of a bacterial bestrophin homolog from klebsiella pneumoniae with a mutation I180A”. X-ray diffraction, 1 ligand (ZN), 16 pockets (best druggability 0.83). MolNFT v1 #152836 on GenesisL1: 3D structure, binding…
- PDB
- 6IV0
- Type
- protein
- Length
- 1,345 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bestrophin homolog
- UniProt
- W1ELP7
- Ligands
- ZN
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Bestrophin homolog | protein | 268 | 77% helix, 1% strand | W1ELP7 |
| B | Bestrophin homolog | protein | 270 | 77% helix, 0% strand | W1ELP7 |
| C | Bestrophin homolog | protein | 269 | 80% helix, 0% strand | W1ELP7 |
| E | Bestrophin homolog | protein | 270 | 79% helix, 0% strand | W1ELP7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 15 copies · chains A, E, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 709 | 0.83 | 0.86 | 102 | empty |
| 2 | 128 | 0.74 | 0.93 | 28 | empty |
| 3 | 228 | 0.68 | 0.85 | 42 | empty |
| 4 | 669 | 0.65 | 0.75 | 45 | empty |
| 5 | 271 | 0.64 | 0.81 | 49 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2668 Ų buried · 29 hydrogen bonds · protein-protein
- C–D · 2573 Ų buried · 25 hydrogen bonds · protein-protein
- A–E · 2477 Ų buried · 20 hydrogen bonds · protein-protein
- C–E · 2475 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 2453 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 6IV0 · Crystal structure of a bacterial Bestrophin homolog from Klebsiella pneumoniae with a… · the same entry in another collection · chain A against A, TM-score 1.00
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 W1ELP7
- Elsewhere: RCSB PDB 6IV0 · PDBe 6IV0 · UniProt W1ELP7
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