MolNFT v1 · #151534 · protein
Crystal structure of gcoa F169S bound to guaiacol
6HQO · Cytochrome P450: “Crystal structure of gcoa F169S bound to guaiacol”. X-ray diffraction, 2 ligands (HEM, JZ3), 4 pockets (best druggability 0.86). MolNFT v1 #151534 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HQO
- Type
- protein
- Length
- 402 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- UniProt
- A0A076MY51
- Ligands
- HEM, JZ3
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 | protein | 402 | 57% helix, 11% strand | A0A076MY51 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 370 | 0.86 | 0.95 | 50 | HEM, JZ3 |
| 2 | 67 | 0.39 | 0.79 | 20 | empty |
| 3 | 83 | 0.38 | 0.77 | 15 | empty |
| 4 | 73 | 0.32 | 0.74 | 13 | empty |
Compared structures
- 6HQO · Crystal structure of GcoA F169S bound to guaiacol · 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 A0A076MY51
- Elsewhere: RCSB PDB 6HQO · PDBe 6HQO · UniProt A0A076MY51
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