MolNFT v1 · #138579 · protein

Crystal structure of phosphate-binding protein psts protein from burkholderia pseudomallei

5WNN: “Crystal structure of phosphate-binding protein psts protein from burkholderia pseudomallei”. X-ray diffraction, 2 ligands (K, PO4), 3 pockets (best druggability 0.67). MolNFT v1 #138579 on GenesisL1: 3D structure, binding sites and…

PDB: 5WNN
Type: protein
Length: 640 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphate-binding protein psts
UniProt: Q63V82
Ligands: K, PO4
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phosphate-binding protein psts	protein	320	38% helix, 22% strand	Q63V82

Ligands and binding sites

K · Potassium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

3 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	825	0.67	0.74	67	empty
2	70	0.31	0.74	17	empty
3	50	0.27	0.74	14	empty

Interfaces

1 interface between chains.

A–B · 170 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5WNN · Crystal structure of Phosphate-binding protein PstS protein from Burkholderia pseudomallei · 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 Q63V82
Elsewhere: RCSB PDB 5WNN · PDBe 5WNN · UniProt Q63V82

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