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Ligand binding domain of the P. putida receptor PCAY_PP in complex with salicylic acid

Analyse Ligand binding domain of the P. putida receptor PCAY_PP in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6S37
Type: protein
Length: 265 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aromatic acid chemoreceptor
UniProt: Q88JK6
Ligands: SAL
Pockets: 2 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aromatic acid chemoreceptor	protein	139	93% helix, 0% strand	Q88JK6
B	Aromatic acid chemoreceptor	protein	126	90% helix, 0% strand	Q88JK6

Ligands and binding sites

SAL · 2-hydroxybenzoic acid · ligand · chains A, B
ACT · Acetate ion · additive · chains A

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	293	0.58	0.78	26	empty
2	117	0.54	0.83	20	empty

Interfaces

1 interface between chains.

A–B · 1293 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6S37 · Ligand binding domain of the P. putida receptor PcaY_PP in complex with salicylic acid · 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 Q88JK6
Elsewhere: RCSB PDB 6S37 · PDBe 6S37 · UniProt Q88JK6

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