MolNFT v1 · #18017 · protein
Crystal structures of wild-type P-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate, 2,4-dihydroxybenzoate and 2-hydroxy- 4-aminobenzoate and of the TRY222ALA mutant, complexed with 2- hydroxy-4-aminobenzoate. evidence for a proton channel and a new binding mode of the flavin ring
1PBF: “Crystal structures of wild-type P-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate…”. X-ray diffraction, 2 ligands (FAD, BHA), 3 pockets (best druggability 0.76). MolNFT v1 #18017 on GenesisL1: 3D structure, binding sites…
- PDB
- 1PBF
- Type
- protein
- Length
- 391 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P-hydroxybenzoate hydroxylase
- EC
- 1.14.13.2
- UniProt
- P00438
- Ligands
- FAD, BHA
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P-hydroxybenzoate hydroxylase (EC 1.14.13.2) | protein | 391 | 40% helix, 28% strand | P00438 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- BHA · 2-hydroxy-4-aminobenzoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 632 | 0.76 | 0.82 | 66 | FAD, BHA |
| 2 | 103 | 0.50 | 0.81 | 27 | empty |
| 3 | 123 | 0.47 | 0.78 | 25 | empty |
Compared structures
- 1PBF · Crystal structures of wild-type P-hydroxybenzoate hydroxylase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P00438 · AlphaFold monomer V2.0 prediction for P-hydroxybenzoate hydroxylase (P00438) · a predicted model of the same protein · 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 P00438
- Elsewhere: RCSB PDB 1PBF · PDBe 1PBF · UniProt P00438
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