Research workbench
Imp-1 metallo beta-lactamase from pseudomonas aeruginosa in complex with a biaryl succinic acid inhibitor (1)
Analyse Imp-1 metallo beta-lactamase from pseudomonas aeruginosa in complex with a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JJT
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imp-1 metallo beta-lactamase
- EC
- 3.5.2.6
- UniProt
- P52699
- Ligands
- BDS, ZN
- Pockets
- 3 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Imp-1 metallo beta-lactamase (EC 3.5.2.6) | protein | 220 | 27% helix, 30% strand | P52699 |
| B | Imp-1 metallo beta-lactamase (EC 3.5.2.6) | protein | 220 | 26% helix, 30% strand | P52699 |
Ligands and binding sites
- BDS · 2,3-bis-benzo[1,3]dioxol-5-ylmethyl-succinic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 6 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.49 | 0.78 | 21 | BDS |
| 2 | 146 | 0.47 | 0.77 | 21 | BDS |
| 3 | 122 | 0.39 | 0.74 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 169 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1JJT · Imp-1 metallo beta-lactamase from pseudomonas aeruginosa in complex with a biaryl… · the same entry in another collection · chain A against A, TM-score 1.00
- P52699 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (P52699) · 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 P52699
- Elsewhere: RCSB PDB 1JJT · PDBe 1JJT · UniProt P52699
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.