MolNFT v2 · #192503 · protein
Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor
7R1I: “Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with an inhibitor”. X-ray diffraction at 2.24, 4 ligands (HIH, HEM, SO4). MolNFT v2 #192503 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7R1I
- Type
- protein
- Length
- 1,223 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.24
- Source
- Mycobacterium tuberculosis H37Rv
- UniProt
- P9WPP1
- Ligands
- HIH, HEM, SO4, CL
Structure
x-ray diffraction · resolution 2.24 · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 411 | — | P9WPP1 |
| B | — | protein | 403 | — | P9WPP1 |
| C | — | protein | 409 | — | P9WPP1 |
Ligands and binding sites
- HIH · ethyl 1-(2-piperidin-4-ylethyl)-5-pyridin-4-yl-indole-2-carboxylate · ligand · 4 copies · chains A, B, C
- HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 4 copies · chains A, C
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- P9WPP1 · AlphaFold monomer V2.0 prediction for steroid C26-monooxygenase (P9WPP1) · a predicted model of the same protein · chain B 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 P9WPP1
- Elsewhere: RCSB PDB 7R1I · PDBe 7R1I · UniProt P9WPP1
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