Structure of PDB 6zx2 Chain A Binding Site BS02

Receptor Information

>6zx2 Chain A (length=256) Species: 9606 (Homo sapiens)

ELSFGARAELPRIHPVASKLLRLMQKKETNLCLSADVSLARELLQLADAL
GPSICMLKTHVDILNDFTLDVMKELITLAKCHEFLIFEDRKFADIGNTVK
KQYEGGIFKIASWADLVNAHVVPGSGVVKGLQEVGLPLHRGCLLIAEMSS
TGSLATGDYTRAAVRMAEEHSEFVVGFISGSRVSMKPEFLHLTPGVQLEA
GGDNLGQQYNSPQEVIGKRGSDIIIVGRGIISAADRLEAAEMYRKAAWEA
YLSRLG

Ligand information

• Ligand ID: PRO
• InChI: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
• InChIKey: ONIBWKKTOPOVIA-BYPYZUCNSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C[C@H](NC1)C(=O)O
  CACTVS 3.341: OC(=O)[C@@H]1CCCN1
  CACTVS 3.341: OC(=O)[CH]1CCCN1
  OpenEye OEToolkits 1.5.0: C1CC(NC1)C(=O)O
  ACDLabs 10.04: O=C(O)C1NCCC1
• Formula: C5 H9 N O2
• Name: PROLINE
• ChEMBL: CHEMBL54922
• DrugBank: DB00172
• ZINC: ZINC000000895360
• PDB chain: 6zx2 Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zx2 Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): G228 A229 E232
• Binding residue (residue number reindexed from 1): G5 A6 E9
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.4.2.10: orotate phosphoribosyltransferase.
  4.1.1.23: orotidine-5'-phosphate decarboxylase.

Gene Ontology

Molecular Function

• GO:0004590 orotidine-5'-phosphate decarboxylase activity

Biological Process

• GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
• GO:0044205 'de novo' UMP biosynthetic process

External links

• PDB: RCSB:6zx2, PDBe:6zx2, PDBj:6zx2
• PDBsum: 6zx2
• UniProt: P11172|UMPS_HUMAN Uridine 5'-monophosphate synthase (Gene Name=UMPS)