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MolNFT v1 · #150915 · protein

X-ray structure of human glutamate carboxypeptidase II (gcpii) in complex with a inhibitor RNA 2-65-1

6H7Z · Glutamate carboxypeptidase 2: “X-ray structure of human glutamate carboxypeptidase II (gcpii) in complex with a inhibitor RNA 2-65-1”. X-ray diffraction, 7 ligands (FVW, NAG, BMA), 6 pockets (best druggability 0.76). MolNFT v1…

PDB
6H7Z
Type
protein
Length
695 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate carboxypeptidase 2
EC
3.4.17.21
UniProt
Q04609
Ligands
FVW, NAG, BMA, MAN, ZN, CA, CL
Pockets
6 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate carboxypeptidase 2 (EC 3.4.17.21)protein69538% helix, 19% strandQ04609

Ligands and binding sites

  • FVW · (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 13 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies
  • ZN · Zinc ion · metal · 2 copies · chains A
  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 6 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16380.760.8278EDO, TRS, FVW
22320.520.7635empty
31240.460.7830EDO
4690.360.7716empty
5570.290.7520EDO

Modifications

Observed in the structure: 7 glycan (N-glycosylation).

Compared structures

  • 6H7Z · X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q04609 · AlphaFold monomer V2.0 prediction for glutamate carboxypeptidase 2 (Q04609) · a predicted model of the same protein · chain A against A, TM-score 1.00

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