Structure of PDB 4jz9 Chain B Binding Site BS01

Receptor Information

>4jz9 Chain B (length=316) Species: 184922 (Giardia lamblia ATCC 50803)

MSAGKTVVIALGGNAMLQAKEKGDYDTQRKNVEIAASEIYKIHKAGYKVV
LTSGNGPQVGAIKLQNQAAAGVSPEMPLHVCGAMSQGFIGYMMSQAMDNV
FCANNEPANCVTCVTQTLVDPKDQAFTNPTKPVGRFYTEQEAKDLMAANP
GKILREDAGRGWRVVVPSPRPLEIVEYGVIKTLIDNNVLVICTNGGGIPC
KRENKVISGVDAVIDKDLATSLLAKTLNSDYLMILTDVLNACINYKKPDE
RKLEEIKLSEILALEKDGHFAAGSMGPKVRAAIEFTQATGKMSIITSLST
AVDALNGKCGTRIIKD

Ligand information

• Ligand ID: CIT
• InChI: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: KRKNYBCHXYNGOX-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
  ACDLabs 10.04: O=C(O)CC(O)(C(=O)O)CC(=O)O
  CACTVS 3.341: OC(=O)CC(O)(CC(O)=O)C(O)=O
• Formula: C6 H8 O7
• Name: CITRIC ACID
• ChEMBL: CHEMBL1261
• DrugBank: DB04272
• ZINC: ZINC000000895081
• PDB chain: 4jz9 Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jz9 Crystal Structures of Carbamate Kinase from Giardia lamblia Bound with Citric Acid and AMP-PNP.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): G12 G13 G56 P57
• Binding residue (residue number reindexed from 1): G12 G13 G56 P57
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): G13 N14 K131 K216 K278
• Catalytic site (residue number reindexed from 1): G13 N14 K131 K216 K278
• Enzyme Commision number: 2.7.2.2: carbamate kinase.

Gene Ontology

Molecular Function

• GO:0008804 carbamate kinase activity
• GO:0016301 kinase activity

Biological Process

• GO:0006525 arginine metabolic process
• GO:0016310 phosphorylation
• GO:0019546 arginine deiminase pathway

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4jz9, PDBe:4jz9, PDBj:4jz9
• PDBsum: 4jz9
• PubMed: 23700444
• UniProt: A8BB85