MolNFT v1 · #31777 · protein
1B lactamase / B lactamase inhibitor
2B5R · Beta-lactamase tem: “1B lactamase / B lactamase inhibitor”. X-ray diffraction, 9 pockets (best druggability 0.75). MolNFT v1 #31777 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2B5R
- 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
- EC
- 3.5.2.6
- UniProt
- P62593, P35804
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-lactamase tem (EC 3.5.2.6) | protein | 263 | 47% helix, 17% strand | P62593 |
| C, D | Beta-lactamase inhibitory protein | protein | 165 | 21% helix, 33% strand | P35804 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 832 | 0.75 | 0.79 | 75 | empty |
| 2 | 179 | 0.61 | 0.83 | 32 | empty |
| 3 | 149 | 0.56 | 0.82 | 28 | empty |
| 4 | 79 | 0.51 | 0.84 | 19 | empty |
| 5 | 67 | 0.44 | 0.82 | 18 | empty |
Interfaces
4 interfaces between chains.
- A–C · 1395 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1357 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 294 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 52 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 2B5R · 1B Lactamase / B Lactamase Inhibitor · the same entry in another collection · chain D against D, TM-score 1.00
- P62593 · AlphaFold monomer V2.0 prediction for beta-lactamase tem (P62593) · a predicted model of the same protein · chain B against A, TM-score 1.00
- P35804 · AlphaFold monomer V2.0 prediction for beta-lactamase inhibitory protein (P35804) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 P62593
- Every structure of UniProt P35804
- Elsewhere: RCSB PDB 2B5R · PDBe 2B5R · UniProt P62593 · UniProt P35804
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