MolNFT v1 · #99635 · protein
Weei from acinetobacter baumannii aye
4M9C · Bacterial transferase hexapeptide (three repeats) family…: “Weei from acinetobacter baumannii aye”. X-ray diffraction, 17 pockets (best druggability 0.77). MolNFT v1 #99635 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4M9C
- Type
- protein
- Length
- 1,287 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacterial transferase hexapeptide (three repeats) family protein
- UniProt
- B7H2H9
- Pockets
- 17 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 15% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, F | Bacterial transferase hexapeptide (three repeats) family protein | protein | 216 | 15% helix, 32% strand | B7H2H9 |
| B | Bacterial transferase hexapeptide (three repeats) family protein | protein | 213 | 15% helix, 31% strand | B7H2H9 |
| D | Bacterial transferase hexapeptide (three repeats) family protein | protein | 214 | 15% helix, 32% strand | B7H2H9 |
| E | Bacterial transferase hexapeptide (three repeats) family protein | protein | 212 | 15% helix, 32% strand | B7H2H9 |
Pockets
17 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 319 | 0.77 | 0.88 | 51 | empty |
| 2 | 284 | 0.75 | 0.88 | 53 | empty |
| 3 | 266 | 0.75 | 0.89 | 55 | empty |
| 4 | 102 | 0.75 | 0.96 | 25 | empty |
| 5 | 93 | 0.73 | 0.95 | 25 | empty |
Interfaces
9 interfaces between chains.
- A–B · 951 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 950 Ų buried · 8 hydrogen bonds · protein-protein
- D–F · 942 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 935 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 924 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4M9C · WeeI from Acinetobacter baumannii AYE · 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 B7H2H9
- Elsewhere: RCSB PDB 4M9C · PDBe 4M9C · UniProt B7H2H9
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