MolNFT v2 · #222195 · protein
Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation
8UKZ · Cytochrome P450-SU1: “Structure of P450Blt from Micromonospora sp. MW-13 with E238A Mutation”. X-ray diffraction at 1.95, 1 ligand (HEM), 13 pockets (best druggability 0.84). MolNFT v2 #222195 on GenesisL1: 3D structure, binding…
- PDB
- 8UKZ
- Type
- protein
- Length
- 1,127 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.95
- Source
- Micromonospora sp. MW-13
- Molecule
- Cytochrome P450-SU1
- UniProt
- A0A3E2YLT4
- Ligands
- HEM
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · resolution 1.95 · 3 distinct chains · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytochrome P450-SU1 | protein | 376 | 54% helix, 11% strand | A0A3E2YLT4 |
| B | Cytochrome P450-SU1 | protein | 381 | 53% helix, 11% strand | A0A3E2YLT4 |
| C | Cytochrome P450-SU1 | protein | 370 | 55% helix, 10% strand | A0A3E2YLT4 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 3 copies · chains A, B, C
- TFA · trifluoroacetic acid · additive · 4 copies · chains A, B, C
- ACT · Acetate ion · additive · 4 copies · chains A, B, C
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1034 | 0.84 | 0.85 | 99 | HEM, ACT |
| 2 | 1146 | 0.81 | 0.82 | 91 | HEM, TFA |
| 3 | 1156 | 0.81 | 0.82 | 95 | HEM, TFA |
| 4 | 1041 | 0.79 | 0.81 | 79 | TFA |
| 5 | 924 | 0.73 | 0.77 | 58 | empty |
Interfaces
2 interfaces between chains.
- A–B · 866 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 692 Ų buried · 8 hydrogen bonds · protein-protein
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 A0A3E2YLT4
- Elsewhere: RCSB PDB 8UKZ · PDBe 8UKZ · UniProt A0A3E2YLT4
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