MolNFT v1 · #99176 · protein

Crystal structure of the M. tuberculosis phosphate binding protein PSTS3

4LVQ · Phosphate-binding protein psts 3: “Crystal structure of the M. tuberculosis phosphate binding protein PSTS3”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.52). MolNFT v1 #99176 on GenesisL1: 3D structure…

PDB: 4LVQ
Type: protein
Length: 638 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phosphate-binding protein psts 3
UniProt: P0A5Y2
Ligands: PO4
Pockets: 3 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phosphate-binding protein psts 3	protein	319	37% helix, 22% strand	P0A5Y2

Ligands and binding sites

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	57	0.52	0.87	15	empty
2	129	0.41	0.75	30	empty
3	79	0.39	0.78	16	empty

Interfaces

1 interface between chains.

A–B · 239 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4LVQ · Crystal structure of the M. tuberculosis phosphate binding protein PstS3 · 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 P0A5Y2
Elsewhere: RCSB PDB 4LVQ · PDBe 4LVQ · UniProt P0A5Y2

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