MolNFT v1 · #3157 · protein
Mutant TYR38GLU of para-hydroxybenzoate hydroxylase
1CJ3 · Protein (P-hydroxybenzoate hydroxylase): “Mutant TYR38GLU of para-hydroxybenzoate hydroxylase”. X-ray diffraction, 2 ligands (FAD, PHB), 4 pockets (best druggability 0.76). MolNFT v1 #3157 on GenesisL1: 3D structure, binding sites…
- PDB
- 1CJ3
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (P-hydroxybenzoate hydroxylase)
- EC
- 1.14.13.2
- UniProt
- P00438
- Ligands
- FAD, PHB
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (P-hydroxybenzoate hydroxylase) (EC 1.14.13.2) | protein | 392 | 41% helix, 28% strand | P00438 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- PHB · P-hydroxybenzoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.76 | 0.82 | 66 | FAD, PHB |
| 2 | 120 | 0.41 | 0.76 | 20 | empty |
| 3 | 84 | 0.41 | 0.78 | 19 | empty |
| 4 | 54 | 0.30 | 0.76 | 15 | empty |
Compared structures
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 P00438
- Elsewhere: RCSB PDB 1CJ3 · PDBe 1CJ3 · UniProt P00438
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