MolNFT v1 · #121241 · protein

Crystal structure of the double mutant of pobr transcription factor inducer binding domain from acinetobacter

5HPF · P-hydroxybenzoate hydroxylase transcriptional activator: “Crystal structure of the double mutant of pobr transcription factor inducer binding domain from acinetobacter”. X-ray diffraction, 2 ligands (PO4, CL), 2 pockets (best…

PDB: 5HPF
Type: protein
Length: 525 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: P-hydroxybenzoate hydroxylase transcriptional activator
UniProt: Q43992
Ligands: PO4, CL
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	P-hydroxybenzoate hydroxylase transcriptional activator	protein	175	43% helix, 23% strand	Q43992

Ligands and binding sites

PO4 · Phosphate ion · ion · 4 copies · chains A, B, C
CL · Chloride ion · ion · chains B
GOL · Glycerol · additive · 6 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	58	0.73	0.98	15	empty
2	338	0.70	0.83	42	PO4, CL

Interfaces

2 interfaces between chains.

A–C · 546 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 345 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

5HPF · Crystal Structure of the Double Mutant of PobR Transcription Factor Inducer Binding… · the same entry in another collection · chain A against A, TM-score 1.00
Q43992 · AlphaFold monomer V2.0 prediction for P-hydroxybenzoate hydroxylase transcriptional… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q43992
Elsewhere: RCSB PDB 5HPF · PDBe 5HPF · UniProt Q43992

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