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MolNFT v1 · #69821 · protein

Crystal structure of gmhb from E. COLI in complex with calcium and phosphate.

3L1V · D,D-heptose 1,7-bisphosphate phosphatase: “Crystal structure of gmhb from E. COLI in complex with calcium and phosphate.”. X-ray diffraction, 3 ligands (ZN, CA, PO4), 2 pockets (best druggability 0.50). MolNFT v1 #69821 on…

PDB
3L1V
Type
protein
Length
364 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D,D-heptose 1,7-bisphosphate phosphatase
EC
3.1.3.-
UniProt
P63228
Ligands
ZN, CA, PO4
Pockets
2 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BD,D-heptose 1,7-bisphosphate phosphatase (EC 3.1.3.-)protein18240% helix, 19% strandP63228

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • CA · Calcium 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

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11200.500.8120CA, PO4
2970.480.8219CA, PO4

Compared structures

  • 3L1V · Crystal structure of GmhB from E. coli in complex with calcium and phosphate. · the same entry in another collection · chain A against A, TM-score 1.00
  • P63228 · AlphaFold monomer V2.0 prediction for D-glycero-beta-D-manno- heptose-1,7-bisphosphate… · a predicted model of the same protein · chain A against A, TM-score 0.99

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