MolNFT v1 · #119298 · protein

Crystal structure of the phenol-responsive sensory domain of the transcription activator poxr in complex with 4-methylphenol (cresol)

5FRV · Positive phenol-degradative gene regulator: “Crystal structure of the phenol-responsive sensory domain of the transcription activator poxr in complex with…”. X-ray diffraction, 2 ligands (PCR, ZN), 2 pockets (best druggability…

PDB: 5FRV
Type: protein
Length: 400 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Positive phenol-degradative gene regulator
UniProt: O84957
Ligands: PCR, ZN
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Positive phenol-degradative gene regulator	protein	200	50% helix, 24% strand	O84957

Ligands and binding sites

PCR · P-cresol · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	85	0.43	0.79	17	empty
2	68	0.42	0.81	17	empty

Interfaces

1 interface between chains.

A–B · 2324 Å² buried · 38 hydrogen bonds · protein-protein

Compared structures

5FRV · crystal structure of the phenol-responsive sensory domain of the transcription activator… · 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 O84957
Elsewhere: RCSB PDB 5FRV · PDBe 5FRV · UniProt O84957

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