Research workbench
Crystal structure of chromopyrrolic acid bound cytochrome P450 stap (CYP245A1)
Analyse Crystal structure of chromopyrrolic acid bound cytochrome P450 stap (CYP245A1) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Z3U
- Type
- protein
- Length
- 411 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450
- EC
- 1.-.-.-
- UniProt
- Q83WG3
- Ligands
- CRR, HEM
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 (EC 1.-.-.-) | protein | 411 | 52% helix, 10% strand | Q83WG3 |
Ligands and binding sites
- CRR · 3,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid · ligand · 3 copies · chains A
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 773 | 0.84 | 0.86 | 88 | HEM, CRR |
| 2 | 130 | 0.56 | 0.83 | 34 | empty |
| 3 | 82 | 0.33 | 0.74 | 14 | empty |
Compared structures
- 2Z3U · Crystal Structure of Chromopyrrolic Acid Bound Cytochrome P450 StaP (CYP245A1) · 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 Q83WG3
- Elsewhere: RCSB PDB 2Z3U · PDBe 2Z3U · UniProt Q83WG3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.