Research workbench
Ultrahigh resolution structure of a class a beta-lactamase: on the mechanism and specificity of the extended-spectrum shv-2 enzyme
Analyse Ultrahigh resolution structure of a class a beta-lactamase: on the mechanism… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N9B
- Type
- protein
- Length
- 265 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase shv-2
- EC
- 3.5.2.6
- UniProt
- P30896
- Ligands
- MA4
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase shv-2 (EC 3.5.2.6) | protein | 265 | 45% helix, 18% strand | P30896 |
Ligands and binding sites
- MA4 · Cyclohexyl-hexyl-beta-D-maltoside · ligand · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 213 | 0.67 | 0.84 | 24 | MA4 |
| 2 | 88 | 0.31 | 0.73 | 18 | EPE |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1N9B · Ultrahigh resolution structure of a class A beta-lactamase: On the mechanism and… · the same entry in another collection · chain A against A, TM-score 1.00
- P30896 · AlphaFold monomer V2.0 prediction for beta-lactamase shv-3 (P30896) · a predicted model of the same protein · chain A 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 P30896
- Elsewhere: RCSB PDB 1N9B · PDBe 1N9B · UniProt P30896
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