MolNFT v1 · #53615 · protein
Crystal structure of the oxa-10 S67A mutant at pH 7
2X01 · Beta-lactamase oxa-10: “Crystal structure of the oxa-10 S67A mutant at pH 7”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.75). MolNFT v1 #53615 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2X01
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase oxa-10
- EC
- 3.5.2.6
- UniProt
- P14489
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase oxa-10 (EC 3.5.2.6) | protein | 244 | 41% helix, 23% strand | P14489 |
| B | Beta-lactamase oxa-10 (EC 3.5.2.6) | protein | 246 | 39% helix, 23% strand | P14489 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.75 | 0.93 | 31 | SO4 |
| 2 | 130 | 0.74 | 0.93 | 28 | SO4 |
| 3 | 186 | 0.47 | 0.75 | 30 | SO4 |
| 4 | 157 | 0.44 | 0.75 | 25 | SO4 |
Interfaces
1 interface between chains.
- A–B · 1317 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 modified (disulfide, carboxylation).
Compared structures
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 P14489
- Elsewhere: RCSB PDB 2X01 · PDBe 2X01 · UniProt P14489
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