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MolNFT v1 · #93418 · protein

Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from streptococcus pneumoniae TIGR4 at 1.77 a resolution

4H1X · Phosphate-binding protein psts 2: “Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084) from streptococcus…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.37). MolNFT v1 #93418 on…

PDB
4H1X
Type
protein
Length
257 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphate-binding protein psts 2
UniProt
P0C2M5
Ligands
CL
Pockets
3 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhosphate-binding protein psts 2protein25735% helix, 29% strandP0C2M5

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • CIT · Citric acid · additive · chains 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11340.370.7323empty
21100.370.7420CIT
3590.290.7414empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 4H1X · Crystal structure of a phosphate ABC transporter, phosphate-binding protein (SP_2084)… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0C2M5 · AlphaFold monomer V2.0 prediction for phosphate-binding protein psts 2 (P0C2M5) · a predicted model of the same protein · chain A against A, TM-score 1.00

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