MolNFT v2 · #151665 · protein
Structure of the BM3 heme domain in complex with fluconazole
6H1S: “Structure of the BM3 heme domain in complex with fluconazole”. X-ray diffraction at 1.95, 3 ligands (TPF, HEM, PO4). MolNFT v2 #151665 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6H1S
- Type
- protein
- Length
- 896 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.95
- Source
- Bacillus megaterium
- UniProt
- P14779
- Ligands
- TPF, HEM, PO4
Structure
x-ray diffraction · resolution 1.95 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 453 | — | P14779 |
| B | — | protein | 443 | — | P14779 |
Ligands and binding sites
- TPF · 2-(2,4-difluorophenyl)-1,3-di(1h-1,2,4-triazol-1-yl)propan-2-ol · ligand · 2 copies · chains A, B
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 5 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6H1S · Structure of the BM3 heme domain in complex with fluconazole · the same entry in another collection · chain A against A, TM-score 1.00
- P14779 · AlphaFold monomer V2.0 prediction for bifunctional cytochrome P450/NADPH--P450 reductase… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P14779
- Elsewhere: RCSB PDB 6H1S · PDBe 6H1S · UniProt P14779
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