MolNFT v1 · #102509 · protein
Streptomyces globisporus C-1027 FAD dependent (S)-3-chloro-β- tyrosine-S-SGCC2 C-5 hydroxylase sgcc apo form
4OO2 · Chlorophenol-4-monooxygenase: “Streptomyces globisporus C-1027 FAD dependent (S)-3-chloro-β- tyrosine-S-SGCC2 C-5 hydroxylase sgcc apo…”. X-ray diffraction, 1 ligand (CA), 18 pockets (best druggability 0.87). MolNFT v1 #102509…
- PDB
- 4OO2
- Type
- protein
- Length
- 2,023 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chlorophenol-4-monooxygenase
- UniProt
- Q8GMG6
- Ligands
- CA
- Pockets
- 18 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chlorophenol-4-monooxygenase | protein | 506 | 52% helix, 14% strand | Q8GMG6 |
| B | Chlorophenol-4-monooxygenase | protein | 499 | 52% helix, 14% strand | Q8GMG6 |
| C | Chlorophenol-4-monooxygenase | protein | 510 | 52% helix, 15% strand | Q8GMG6 |
| D | Chlorophenol-4-monooxygenase | protein | 508 | 51% helix, 14% strand | Q8GMG6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 447 | 0.87 | 0.95 | 78 | empty |
| 2 | 418 | 0.87 | 0.95 | 73 | empty |
| 3 | 935 | 0.85 | 0.87 | 95 | CA |
| 4 | 902 | 0.80 | 0.82 | 77 | empty |
| 5 | 988 | 0.80 | 0.81 | 77 | empty |
Interfaces
6 interfaces between chains.
- A–C · 4641 Ų buried · 62 hydrogen bonds · protein-protein
- B–D · 4605 Ų buried · 64 hydrogen bonds · protein-protein
- C–D · 3706 Ų buried · 38 hydrogen bonds · protein-protein
- A–B · 3519 Ų buried · 35 hydrogen bonds · protein-protein
- A–D · 711 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 44 modified (engineered).
Compared structures
- 4OO2 · Streptomyces globisporus C-1027 FAD dependent (S)-3-chloro-β-tyrosine-S-SgcC2 C-5… · 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 Q8GMG6
- Elsewhere: RCSB PDB 4OO2 · PDBe 4OO2 · UniProt Q8GMG6
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