MolNFT v1 · #188012 · protein
Imipenem-oxa-23 2 minute complex
7T7G · Beta-lactamase oxa-23: “Imipenem-oxa-23 2 minute complex”. X-ray diffraction, 1 ligand (IM2), 2 pockets (best druggability 0.41). MolNFT v1 #188012 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7T7G
- Type
- protein
- Length
- 239 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase oxa-23
- UniProt
- V5TGX0
- Ligands
- IM2
- Pockets
- 2 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase oxa-23 | protein | 239 | 40% helix, 21% strand | V5TGX0 |
Ligands and binding sites
- IM2 · (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid · ligand · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.41 | 0.74 | 24 | IM2 |
| 2 | 56 | 0.32 | 0.76 | 21 | empty |
Modifications
Observed in the structure: 1 covalent, 1 modified (covalent ligand, carboxylation).
Compared structures
- 7T7G · Imipenem-OXA-23 2 minute complex · 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 V5TGX0
- Elsewhere: RCSB PDB 7T7G · PDBe 7T7G · UniProt V5TGX0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.