MolNFT v1 · #125745 · protein
Crystal structure of mycobacterium tuberculosis CYP126A1 in complex with N-isopropyl-N-((3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl) methyl)-2-(4-NITROPHENYL)ACETAMIDE
5LI6: “Crystal structure of mycobacterium tuberculosis CYP126A1 in complex with…”. X-ray diffraction, 2 ligands (HEM, 6XF). MolNFT v1 #125745 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5LI6
- Type
- protein
- Length
- 753 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P9WPN8
- Ligands
- HEM, 6XF
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 377 | — | P9WPN8 |
| B | — | protein | 376 | — | P9WPN8 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- 6XF · ~{N}-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-nitrophenyl)-~{N}-propan-2-yl-ethanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5LI6 · Crystal structure of Mycobacterium tuberculosis CYP126A1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WPN8 · AlphaFold monomer V2.0 prediction for putative cytochrome P450 126 (P9WPN8) · a predicted model of the same protein · chain B 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 P9WPN8
- Elsewhere: RCSB PDB 5LI6 · PDBe 5LI6 · UniProt P9WPN8
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