MolNFT v1 · #21144 · protein
1B lactamse/ B lactamase inhibitor
1S0W · Beta-lactamase tem: “1B lactamse/ B lactamase inhibitor”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.69). MolNFT v1 #21144 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1S0W
- Type
- protein
- Length
- 856 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase tem; Beta-lactamase inhibitory protein
- UniProt
- P00810, P35804
- Ligands
- CA
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase tem | protein | 263 | 46% helix, 18% strand | P00810 |
| C, D | Beta-lactamase inhibitory protein | protein | 165 | 20% helix, 36% strand | P35804 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.69 | 0.85 | 42 | empty |
| 2 | 166 | 0.68 | 0.88 | 29 | empty |
| 3 | 111 | 0.56 | 0.85 | 23 | empty |
| 4 | 142 | 0.55 | 0.82 | 23 | empty |
| 5 | 51 | 0.38 | 0.81 | 13 | empty |
Interfaces
2 interfaces between chains.
- A–C · 1255 Ų buried · 16 hydrogen bonds · protein-protein
- B–D · 1211 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
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 P00810
- Every structure of UniProt P35804
- Elsewhere: RCSB PDB 1S0W · PDBe 1S0W · UniProt P00810 · UniProt P35804
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