MolNFT v1 · #59764 · protein
Structural insight into the kinetics and delta-cp of interactions between tem-1 beta-lactamase and blip
3C7V: “Structural insight into the kinetics and delta-cp of interactions between tem-1 beta-lactamase and blip”. X-ray diffraction, 8 pockets (best druggability 0.64). MolNFT v1 #59764 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3C7V
- Type
- protein
- Length
- 856 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase; Beta-lactamase inhibitory protein
- EC
- 3.5.2.6
- UniProt
- Q79DR3, P35804
- Pockets
- 8 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Beta-lactamase (EC 3.5.2.6) | protein | 263 | 44% helix, 17% strand | Q79DR3 |
| B, D | Beta-lactamase inhibitory protein | protein | 165 | 21% helix, 35% strand | P35804 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 82 | 0.64 | 0.91 | 29 | empty |
| 2 | 159 | 0.55 | 0.81 | 26 | empty |
| 3 | 150 | 0.53 | 0.80 | 26 | empty |
| 4 | 56 | 0.38 | 0.80 | 18 | empty |
| 5 | 115 | 0.37 | 0.74 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1376 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1363 Ų buried · 24 hydrogen bonds · protein-protein
- B–D · 115 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3C7V · Structural Insight into the Kinetics and Delta-Cp of interactions between TEM-1… · the same entry in another collection · chain A 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 D 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 Q79DR3
- Every structure of UniProt P35804
- Elsewhere: RCSB PDB 3C7V · PDBe 3C7V · UniProt Q79DR3 · UniProt P35804
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