MolNFT v1 · #150704 · protein
Structure of the BM3 heme domain in complex with clotrimazole
6H1T: “Structure of the BM3 heme domain in complex with clotrimazole”. X-ray diffraction, 2 ligands (HEM, CL6). MolNFT v1 #150704 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6H1T
- Type
- protein
- Length
- 1,824 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A1Q8UP87
- Ligands
- HEM, CL6
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | — | protein | 456 | — | A0A1Q8UP87 |
| D | — | protein | 456 | — | A0A1Q8UP87 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- CL6 · 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole · ligand · 4 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 15 copies · chains A, B, C, D
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 10 copies · chains A, B, C, D
- MPO · 3[N-morpholino]propane sulfonic acid · additive · 2 copies · chains B, D
- PGE · Triethylene glycol · additive · 2 copies · chains B, C
- PEG · Di(hydroxyethyl)ether · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6H1T · Structure of the BM3 heme domain in complex with clotrimazole · the same entry in another collection · chain A 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 A0A1Q8UP87
- Elsewhere: RCSB PDB 6H1T · PDBe 6H1T · UniProt A0A1Q8UP87
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