MolNFT v1 · #59763 · protein
Structural insight into the kinetics and cp of interactions between tem-1-lactamase and blip
3C7U · Beta-lactamase: “Structural insight into the kinetics and cp of interactions between tem-1-lactamase and blip”. X-ray diffraction, 7 pockets (best druggability 0.65). MolNFT v1 #59763 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3C7U
- 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
- 7 · best druggability 0.65
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, 36% strand | P35804 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.65 | 0.90 | 28 | empty |
| 2 | 88 | 0.64 | 0.90 | 28 | empty |
| 3 | 120 | 0.52 | 0.82 | 26 | empty |
| 4 | 151 | 0.50 | 0.79 | 23 | empty |
| 5 | 61 | 0.30 | 0.75 | 14 | empty |
Interfaces
3 interfaces between chains.
- C–D · 1354 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1347 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 150 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 3C7U · Structural Insight into the Kinetics and Cp of interactions between TEM-1-Lactamase and… · the same entry in another collection · chain B against B, 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 3C7U · PDBe 3C7U · UniProt Q79DR3 · UniProt P35804
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