MolNFT v1 · #152837 · protein
Crystal structure of a bacterial bestrophin homolog from klebsiella pneumoniae with a mutation I180T
6IV1: “Crystal structure of a bacterial bestrophin homolog from klebsiella pneumoniae with a mutation I180T”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.82). MolNFT v1 #152837 on GenesisL1: 3D structure, binding…
- PDB
- 6IV1
- Type
- protein
- Length
- 1,339 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bestrophin homolog
- UniProt
- W1ELP7
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Bestrophin homolog | protein | 268 | 78% helix, 0% strand | W1ELP7 |
| B | Bestrophin homolog | protein | 264 | 80% helix, 0% strand | W1ELP7 |
| C | Bestrophin homolog | protein | 269 | 80% helix, 1% strand | W1ELP7 |
| E | Bestrophin homolog | protein | 270 | 78% helix, 0% strand | W1ELP7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 14 copies · chains A, E, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1030 | 0.82 | 0.83 | 130 | empty |
| 2 | 757 | 0.70 | 0.77 | 66 | ZN |
| 3 | 290 | 0.62 | 0.79 | 30 | empty |
| 4 | 138 | 0.58 | 0.83 | 22 | empty |
| 5 | 97 | 0.57 | 0.86 | 23 | empty |
Interfaces
5 interfaces between chains.
- A–E · 2536 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2520 Ų buried · 21 hydrogen bonds · protein-protein
- C–E · 2509 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 2507 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 2506 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 6IV1 · 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 6IV1 · PDBe 6IV1 · UniProt W1ELP7
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