Research workbench
Crystal structure of cytochrome P450 moxa from nonomuraea recticatena (CYP105)
Analyse Crystal structure of cytochrome P450 moxa from nonomuraea recticatena (CYP105) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Z36
- Type
- protein
- Length
- 807 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytochrome P450 type compactin 3'',4''- hydroxylase
- EC
- 1.-.-.-
- UniProt
- Q2L6S8
- Ligands
- HEM, FE
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450 type compactin 3'',4''- hydroxylase (EC 1.-.-.-) | protein | 403 | 52% helix, 10% strand | Q2L6S8 |
| B | Cytochrome P450 type compactin 3'',4''- hydroxylase (EC 1.-.-.-) | protein | 404 | 51% helix, 10% strand | Q2L6S8 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 850 | 0.81 | 0.84 | 73 | HEM, MES |
| 2 | 1023 | 0.80 | 0.81 | 92 | HEM, MES |
| 3 | 86 | 0.53 | 0.84 | 18 | empty |
| 4 | 169 | 0.53 | 0.79 | 20 | empty |
| 5 | 111 | 0.53 | 0.82 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 497 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2Z36 · Crystal structure of cytochrome P450 MoxA from Nonomuraea recticatena (CYP105) · the same entry in another collection · chain B against B, 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 Q2L6S8
- Elsewhere: RCSB PDB 2Z36 · PDBe 2Z36 · UniProt Q2L6S8
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