MolNFT v1 · #53045 · protein
Cytochrome P450 xpla heme domain P21212
2WIY · Cytochrome P450-like protein xpla: “Cytochrome P450 xpla heme domain P21212”. X-ray diffraction, 1 ligand (HEM), 2 pockets (best druggability 0.85). MolNFT v1 #53045 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WIY
- Type
- protein
- Length
- 394 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450-like protein xpla
- UniProt
- Q8GPH7
- Ligands
- HEM
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450-like protein xpla | protein | 394 | 57% helix, 10% strand | Q8GPH7 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- EDO · 1,2-ethanediol · additive · 6 copies · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 799 | 0.85 | 0.88 | 89 | IMD, HEM |
| 2 | 220 | 0.52 | 0.76 | 25 | empty |
Compared structures
- 2WIY · Cytochrome P450 XplA heme domain P21212 · 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 Q8GPH7
- Elsewhere: RCSB PDB 2WIY · PDBe 2WIY · UniProt Q8GPH7
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