MolNFT v2 · #138383 · protein
Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333.
5VRM: “Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855, ebsi 4333.”. X-ray diffraction at 2.5, 1 ligand (9JJ). MolNFT v2 #138383 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5VRM
- Type
- protein
- Length
- 1,017 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.5
- Source
- Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)
- UniProt
- P9WGR0
- Ligands
- 9JJ
Structure
x-ray diffraction · resolution 2.5 · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 257 | — | P9WGR0 |
| B | — | protein | 252 | — | P9WGR0 |
| C | — | protein | 254 | — | P9WGR0 |
| D | — | protein | 254 | — | P9WGR0 |
Ligands and binding sites
- 9JJ · [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5VRM · Crystal structure of the inha from mycobacterium tuberculosis in complex with AN12855… · the same entry in another collection · chain D against D, TM-score 1.00
- P9WGR0 · AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH]… · a predicted model of the same protein · chain C 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 P9WGR0
- Elsewhere: RCSB PDB 5VRM · PDBe 5VRM · UniProt P9WGR0
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