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

Analyse Crystal structure of the double mutant of pobr transcription factor inducer… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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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