MolNFT v1 · #72300 · protein
Crystal structure of the shv-1 D104E beta-LACTAMASE/BETA-lactamase inhibitor protein (blip) complex
3N4I · Beta-lactamase shv-1: “Crystal structure of the shv-1 D104E beta-LACTAMASE/BETA-lactamase inhibitor protein (blip) complex”. X-ray diffraction, 1 pocket (best druggability 0.55). MolNFT v1 #72300 on GenesisL1: 3D structure, binding…
- PDB
- 3N4I
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase shv-1; Beta-lactamase inhibitory protein
- EC
- 3.5.2.6
- UniProt
- P0AD64, P35804
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase shv-1 (EC 3.5.2.6) | protein | 265 | 45% helix, 17% strand | P0AD64 |
| B | Beta-lactamase inhibitory protein | protein | 165 | 21% helix, 35% strand | P35804 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.55 | 0.83 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 1398 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3N4I · Crystal structure of the SHV-1 D104E beta-lactamase/beta-lactamase inhibitor protein… · 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 B against A, TM-score 1.00
- P0AD64 · AlphaFold monomer V2.0 prediction for beta-lactamase shv-1 (P0AD64) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0AD64
- Every structure of UniProt P35804
- Elsewhere: RCSB PDB 3N4I · PDBe 3N4I · UniProt P0AD64 · UniProt P35804
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