MolNFT v1 · #111740 · protein
Bacillus subtilis 168 bacillaene polyketide synthase (pks) cytochrome P450 pkss
4YZR · Polyketide biosynthesis cytochrome P450 pkss: “Bacillus subtilis 168 bacillaene polyketide synthase (pks) cytochrome P450 pkss”. X-ray diffraction, 2 ligands (HIS, HEM), 4 pockets (best druggability 0.82). MolNFT v1 #111740 on…
- PDB
- 4YZR
- Type
- protein
- Length
- 388 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyketide biosynthesis cytochrome P450 pkss
- EC
- 1.14.-.-
- UniProt
- O31785
- Ligands
- HIS, HEM
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyketide biosynthesis cytochrome P450 pkss (EC 1.14.-.-) | protein | 388 | 55% helix, 11% strand | O31785 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1101 | 0.82 | 0.83 | 104 | HIS, HEM |
| 2 | 137 | 0.51 | 0.80 | 17 | empty |
| 3 | 66 | 0.48 | 0.84 | 16 | empty |
| 4 | 58 | 0.33 | 0.76 | 15 | empty |
Compared structures
- 4YZR · Bacillus subtilis 168 Bacillaene Polyketide Synthase (PKS) Cytochrome P450 PksS · the same entry in another collection · chain A against A, TM-score 1.00
- O31785 · AlphaFold monomer V2.0 prediction for polyketide biosynthesis cytochrome P450 pkss… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O31785
- Elsewhere: RCSB PDB 4YZR · PDBe 4YZR · UniProt O31785
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