MolNFT v1 · #141500 · protein
Identification of the functions of unusual cytochrome P450-like monooxygenases involved in microbial secondary metablism
5Z9J · Putative P450-like enzyme: “Identification of the functions of unusual cytochrome P450-like monooxygenases involved in microbial…”. X-ray diffraction, 2 ligands (HEM, TAM), 19 pockets (best druggability 0.86). MolNFT v1 #141500 on…
- PDB
- 5Z9J
- Type
- protein
- Length
- 1,523 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative P450-like enzyme
- UniProt
- G0LWB2
- Ligands
- HEM, TAM
- Pockets
- 19 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 51% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative P450-like enzyme | protein | 391 | 52% helix, 11% strand | G0LWB2 |
| B | Putative P450-like enzyme | protein | 367 | 50% helix, 11% strand | G0LWB2 |
| C | Putative P450-like enzyme | protein | 392 | 52% helix, 11% strand | G0LWB2 |
| D | Putative P450-like enzyme | protein | 373 | 49% helix, 11% strand | G0LWB2 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
- TAM · Tris(hydroxyethyl)aminomethane · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1080 | 0.86 | 0.87 | 97 | HEM, TAM |
| 2 | 1059 | 0.83 | 0.84 | 102 | empty |
| 3 | 1200 | 0.83 | 0.84 | 97 | HEM, TAM |
| 4 | 1055 | 0.80 | 0.81 | 92 | HEM |
| 5 | 965 | 0.78 | 0.80 | 100 | HEM |
Interfaces
4 interfaces between chains.
- A–B · 941 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 623 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 473 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 454 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5Z9J · Identification of the functions of unusual cytochrome p450-like monooxygenases involved… · 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 G0LWB2
- Elsewhere: RCSB PDB 5Z9J · PDBe 5Z9J · UniProt G0LWB2
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