MolNFT v1 · #66931 · protein

Crystal structure of the isolated ggdef domain of wpsr from pseudomonas aeruginosa

3I5B · Wspr response regulator: “Crystal structure of the isolated ggdef domain of wpsr from pseudomonas aeruginosa”. X-ray diffraction, 2 pockets (best druggability 0.53). MolNFT v1 #66931 on GenesisL1: 3D structure, binding sites and…

PDB: 3I5B
Type: protein
Length: 339 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Wspr response regulator
UniProt: Q9HXT9
Pockets: 2 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Wspr response regulator	protein	170	45% helix, 22% strand	Q9HXT9
B	Wspr response regulator	protein	169	46% helix, 22% strand	Q9HXT9

Ligands and binding sites

TLA · L(+)-tartaric acid · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	167	0.53	0.79	40	empty
2	69	0.33	0.76	16	empty

Interfaces

1 interface between chains.

A–B · 1113 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

3I5B · Crystal structure of the isolated GGDEF domain of WpsR from Pseudomonas aeruginosa · 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 Q9HXT9
Elsewhere: RCSB PDB 3I5B · PDBe 3I5B · UniProt Q9HXT9

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