Structure of PDB 7la5 Chain B Binding Site BS01

Receptor Information

>7la5 Chain B (length=189) Species: 9606 (Homo sapiens)

TAHLSVVAEDGSAVSATSTINLYFGSKVRSPVSGILFNNEMDDFSSPSIT
NEFGVPPSPANFIQPGKQPLSSMCPTIMVGQDGQVRMVVGAAGGTQITTA
TALAIIYNLWFGYDVKRAVEEPRLHNQLLPNVTTVERNIDQAVTAALETR
HHHTQIASTFIAVVQAIVRTAGGWAAASDSRKGGEPAGY

Ligand information

• Ligand ID: XSM
• InChI: InChI=1S/C8H14BN3O4/c13-8(14)7(1-2-9(15)16)11-4-6-3-10-5-12-6/h3,5,7,11,15-16H,1-2,4H2,(H,10,12)(H,13,14)/t7-/m1/s1
• InChIKey: JBISBMUZBNLAPG-SSDOTTSWSA-N
• SMILES:
  ACDLabs 12.01: c1c(ncn1)CNC(C(O)=O)CCB(O)O
  OpenEye OEToolkits 2.0.7: B(CC[C@H](C(=O)O)NCc1c[nH]cn1)(O)O
  CACTVS 3.385: OB(O)CC[C@@H](NCc1c[nH]cn1)C(O)=O
  OpenEye OEToolkits 2.0.7: B(CCC(C(=O)O)NCc1c[nH]cn1)(O)O
  CACTVS 3.385: OB(O)CC[CH](NCc1c[nH]cn1)C(O)=O
• Formula: C8 H14 B N3 O4
• Name: (2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid
• ChEMBL: CHEMBL5219273
• PDB chain: 7la5 Chain B Residue 1102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7la5 Structure of human GGT1 in complex with Lnt1-172 compound.
• Resolution: 2.07 Å
• Binding residue (original residue number in PDB): T381 T399 N401 D423 S451 S452 G473 G474
• Binding residue (residue number reindexed from 1): T1 T19 N21 D43 S71 S72 G93 G94
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.2.2: gamma-glutamyltransferase.
  3.4.19.13: glutathione gamma-glutamate hydrolase.
  3.4.19.14: leukotriene-C4 hydrolase.

Gene Ontology

Molecular Function

• GO:0036374 glutathione hydrolase activity

Biological Process

• GO:0006751 glutathione catabolic process

External links

• PDB: RCSB:7la5, PDBe:7la5, PDBj:7la5
• PDBsum: 7la5
• UniProt: P19440|GGT1_HUMAN Glutathione hydrolase 1 proenzyme (Gene Name=GGT1)