MolNFT v1 · #152840 · protein
Crystal structure of a bacterial bestrophin homolog from klebsiella pneumoniae with a mutation W252F
6IV4: “Crystal structure of a bacterial bestrophin homolog from klebsiella pneumoniae with a mutation W252F”. X-ray diffraction, 1 ligand (ZN), 18 pockets (best druggability 0.87). MolNFT v1 #152840 on GenesisL1: 3D structure, binding…
- PDB
- 6IV4
- Type
- protein
- Length
- 1,331 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bestrophin homolog
- UniProt
- W1ELP7
- Ligands
- ZN
- Pockets
- 18 · best druggability 0.87
Structure
x-ray diffraction · 3 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Bestrophin homolog | protein | 267 | 79% helix, 0% strand | W1ELP7 |
| B | Bestrophin homolog | protein | 263 | 81% helix, 0% strand | W1ELP7 |
| D, E | Bestrophin homolog | protein | 267 | 80% helix, 0% strand | W1ELP7 |
Ligands and binding sites
- ZN · Zinc ion · metal · 13 copies · chains A, E, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 894 | 0.87 | 0.89 | 125 | empty |
| 2 | 203 | 0.74 | 0.89 | 28 | empty |
| 3 | 632 | 0.70 | 0.78 | 45 | ZN |
| 4 | 290 | 0.65 | 0.81 | 29 | empty |
| 5 | 111 | 0.62 | 0.87 | 19 | empty |
Interfaces
9 interfaces between chains.
- A–E · 2549 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2543 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2511 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 2508 Ų buried · 16 hydrogen bonds · protein-protein
- C–E · 2358 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6IV4 · 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 6IV4 · PDBe 6IV4 · UniProt W1ELP7
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