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MolNFT v1 · #56011 · protein

Crystal structure of phosphate preplasmic binding protein psts from yersinia pestis

2Z22 · Periplasmic phosphate-binding protein: “Crystal structure of phosphate preplasmic binding protein psts from yersinia pestis”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.68). MolNFT v1 #56011 on GenesisL1: 3D…

PDB
2Z22
Type
protein
Length
642 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periplasmic phosphate-binding protein
UniProt
Q7CFM9
Ligands
PO4
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
X, APeriplasmic phosphate-binding proteinprotein32139% helix, 23% strandQ7CFM9

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains X, A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14370.680.8052empty
2790.310.7317empty
3640.300.7414empty

Interfaces

1 interface between chains.

  • X–A · 333 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2Z22 · Crystal structure of phosphate preplasmic binding protein psts from yersinia pestis · the same entry in another collection · chain X against X, TM-score 1.00

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