MolNFT v1 · #107446 · protein
1.8 ångström crystal structure of imp-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site
4UAM: “1.8 ångström crystal structure of imp-1 metallo-beta-lactamase with a mixed iron-zinc center in the active…”. X-ray diffraction, 2 ligands (FE, ZN), 7 pockets (best druggability 0.79). MolNFT v1 #107446 on GenesisL1: 3D structure…
- PDB
- 4UAM
- Type
- protein
- Length
- 880 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imp-1 metallo-beta-lactamase
- UniProt
- G4LPN7
- Ligands
- FE, ZN
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Imp-1 metallo-beta-lactamase | protein | 220 | 27% helix, 31% strand | G4LPN7 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 4 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 4 copies · chains A, B, C, D
- FLC · Citrate anion · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 1063 | 0.79 | 0.80 | 106 | FLC, ZN |
| 2 | 247 | 0.71 | 0.86 | 39 | empty |
| 3 | 224 | 0.55 | 0.78 | 29 | empty |
| 4 | 97 | 0.48 | 0.81 | 26 | empty |
| 5 | 164 | 0.47 | 0.76 | 23 | ZN, FLC |
Interfaces
3 interfaces between chains.
- A–C · 782 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 655 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 272 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4UAM · 1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc… · the same entry in another collection · chain A 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 G4LPN7
- Elsewhere: RCSB PDB 4UAM · PDBe 4UAM · UniProt G4LPN7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.