Structure of PDB 8u0z Chain A Binding Site BS01

Receptor Information

>8u0z Chain A (length=260) Species: 13443 (Coffea arabica)

FRLPYGERVRLAKNPTGKKLFEIMIQKETNLCLAADVATAAELLDIADKV
GPEICMLKTHVDILPDFTPDFGSKLRSIAEKHNFLIFEDRKFADIGNTVT
MQYEGGIFKILDWADIVNAHIVSGPGIVDGLKLKGLPRGRGLLLLAEMSS
SGNFAKGDYTAAAVKIAEGHSDFVIGFISVNPASWPSGPGNPALIHATPG
VQLAKGGDALGQQYNTPFSVISERGSDIIIVGRGIIKAANPAEVAREYRL
QGWDAYLLHC

Ligand information

• Ligand ID: N
• InChI: InChI=1S/C5H11O7P/c6-3-1-11-4(5(3)7)2-12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
• InChIKey: CYZZKTRFOOKUMT-LMVFSUKVSA-N
• SMILES:
  ACDLabs 10.04: O=P(OCC1OCC(O)C1O)(O)O
  CACTVS 3.385: O[CH]1CO[CH](CO[P](O)(O)=O)[CH]1O
  OpenEye OEToolkits 1.7.5: C1C(C(C(O1)COP(=O)(O)O)O)O
  CACTVS 3.385: O[C@H]1CO[C@H](CO[P](O)(O)=O)[C@H]1O
  OpenEye OEToolkits 1.7.5: C1[C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O
• Formula: C5 H11 O7 P
• Name: ANY 5'-MONOPHOSPHATE NUCLEOTIDE;
  1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
• ZINC: ZINC000005850787
• PDB chain: 8u0z Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u0z Structural and functional properties of uridine 5'-monophosphate synthase from Coffea arabica.
• Resolution: 1.399 Å
• Binding residue (original residue number in PDB): A255 D257 K279 H281 Q433 Y435 G453 R454
• Binding residue (residue number reindexed from 1): A34 D36 K58 H60 Q212 Y214 G232 R233
• Annotation score: 2

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:8u0z, PDBe:8u0z, PDBj:8u0z
• PDBsum: 8u0z
• PubMed: 38184030
• UniProt: A0A6P6VUE3