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Crystal structure of a phosphate binding protein

Analyse Crystal structure of a phosphate binding protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4PQJ
Type
protein
Length
541 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphate binding protein
UniProt
Q9Z9M3
Ligands
PO4
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphate binding proteinprotein27037% helix, 25% strandQ9Z9M3
CPhosphate binding proteinprotein27138% helix, 23% strandQ9Z9M3

Ligands and binding sites

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

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14340.630.7742empty
2510.320.7815empty

Interfaces

1 interface between chains.

  • A–C · 284 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4PQJ · Crystal structure of a phosphate binding protein · the same entry in another collection · chain A against A, TM-score 1.00

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