Structure of PDB 3ss4 Chain D Binding Site BS01

Receptor Information

>3ss4 Chain D (length=387) Species: 10090 (Mus musculus)

LEDLLFYTIQEKIPVHKFITALKSTGLRTSDPRLKECMDMLRLTLQTTVM
LDKDLFKKCVQSNIVLLTQAFRRKFVIPDFMSFTSHIDELYESAKKQSGG
KVADFSPDLWGVSVCTVDGQRHSIGDTKVPFCLQSCVKPLKYAIAVNDLG
TEYVHRYVGKEPSGFLNEDDKPHNPMVNAGAIVVTSLIKQGVNNAEKFDY
VMQFLNKMAGNEYVGFSNATFQSERESGDRNFAIGYYLKEKKCFPEGTDM
VGILDFYFQLCSIEVTCESASVMAATLANGGFCPITGERVLSPEAVRNTL
SLMHSCGMYDFSGQFAFHVGLPAKSGVAGGILLVVPNVMGMMCWSPPLDK
MGNSVKGIHFCHDLVSLCNFHNYDNLRHFAKKLDPRR

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3ss4 Chain D Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ss4 Mitochondrial localization and structure-based phosphate activation mechanism of Glutaminase C with implications for cancer metabolism.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): S291 N340 R392
• Binding residue (residue number reindexed from 1): S135 N178 R230
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S291 K294 Y419 Y471 V489
• Catalytic site (residue number reindexed from 1): S135 K138 Y257 Y309 V327
• 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:3ss4, PDBe:3ss4, PDBj:3ss4
• PDBsum: 3ss4
• PubMed: 22228304
• UniProt: D3Z7P3|GLSK_MOUSE Glutaminase kidney isoform, mitochondrial (Gene Name=Gls)