Structure of PDB 8szj Chain K Binding Site BS01

Receptor Information

>8szj Chain K (length=387) Species: 9606 (Homo sapiens)

LEDLLFYTIAEGQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQT
TSDGVMLDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESA
KKQSGGKVADYIPQLAKFSPDLWGVSVCTVDGQRHSTGDTKVPFCLQSCV
KPLKYAIAVNDLGTEYVHRYVGKEPSGLRFNKLFLNEDDKPHNPMVNAGA
IVVTSLIKQGVNNAEKFDYVMQFLNKMAGNEYVGFSNATFQSERESGDRN
FAIGYYLKEKKCFPEGTDMVGILDFYFQLCSIEVTCESASVMAATLANGG
FCPITGERVLSPEAVRNTLSLMHSCGMWDFSGQFAFHVGLPAKSGVAGGI
LLVVPNVMGMMCWSPPLDKMGNSVKGIHFCHDLVSLC

Ligand information

• Ligand ID: GLN
• InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(=O)N)C(C(=O)O)N
  OpenEye OEToolkits 1.5.0: C(CC(=O)N)[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(N)CCC(N)C(=O)O
  CACTVS 3.341: N[CH](CCC(N)=O)C(O)=O
  CACTVS 3.341: N[C@@H](CCC(N)=O)C(O)=O
• Formula: C5 H10 N2 O3
• Name: GLUTAMINE
• ChEMBL: CHEMBL930
• DrugBank: DB00130
• ZINC: ZINC000001532526
• PDB chain: 8szj Chain K Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8szj Filament formation drives catalysis by glutaminase enzymes important in cancer progression.
• Resolution: 3.35 Å
• Binding residue (original residue number in PDB): S286 F318 N335 E381 N388 Y414 C418 V484
• Binding residue (residue number reindexed from 1): S148 F180 N197 E243 N250 Y276 C280 V346
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 3.5.1.2: glutaminase.

Gene Ontology

Molecular Function

• GO:0004359 glutaminase activity

Biological Process

• GO:0006541 glutamine metabolic process

External links

• PDB: RCSB:8szj, PDBe:8szj, PDBj:8szj
• PDBsum: 8szj
• PubMed: 38438397
• UniProt: O94925|GLSK_HUMAN Glutaminase kidney isoform, mitochondrial (Gene Name=GLS)