MolNFT v2 · #123007 · protein
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3 [4-(3-([1,1'-Biphenyl]-3-yl)ureido)-2-hydroxybenzoic acid]
5IWC: “Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 3…”. X-ray diffraction at 2.7, 2 ligands (PLP, 6EQ). MolNFT v2 #123007 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IWC
- Type
- protein
- Length
- 592 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.7
- Source
- Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
- UniProt
- P9WP53
- Ligands
- PLP, 6EQ
Structure
x-ray diffraction · resolution 2.7 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 297 | — | P9WP53 |
| B | — | protein | 295 | — | P9WP53 |
Ligands and binding sites
- PLP · Pyridoxal-5'-phosphate · ligand · 2 copies · chains A, B
- 6EQ · 4-{[([1,1'-biphenyl]-3-yl)carbamoyl]amino}-2-hydroxybenzoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5IWC · Mycobacterium tuberculosis cysm in complex with the urea-scaffold inhibitor 3… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WP53 · AlphaFold monomer V2.0 prediction for O-phosphoserine sulfhydrylase (P9WP53) · a predicted model of the same protein · chain B against A, TM-score 0.97
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 P9WP53
- Elsewhere: RCSB PDB 5IWC · PDBe 5IWC · UniProt P9WP53
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