MolNFT v1 · #81816 · protein
Crystal structure of ges-18
3V3S · Extended spectrum beta-lactamase ges-18: “Crystal structure of ges-18”. X-ray diffraction, 7 pockets (best druggability 0.74). MolNFT v1 #81816 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3V3S
- Type
- protein
- Length
- 537 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extended spectrum beta-lactamase ges-18
- EC
- 3.5.2.6
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extended spectrum beta-lactamase ges-18 (EC 3.5.2.6) | protein | 269 | 49% helix, 19% strand | — |
| B | Extended spectrum beta-lactamase ges-18 (EC 3.5.2.6) | protein | 268 | 49% helix, 19% strand | — |
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 527 | 0.74 | 0.82 | 44 | empty |
| 2 | 116 | 0.46 | 0.78 | 17 | empty |
| 3 | 86 | 0.44 | 0.80 | 14 | empty |
| 4 | 65 | 0.37 | 0.78 | 19 | empty |
| 5 | 103 | 0.37 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 914 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3V3S · Crystal structure of GES-18 · 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
- Elsewhere: RCSB PDB 3V3S · PDBe 3V3S
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