Structure of PDB 4ex9 Chain A Binding Site BS01

Receptor Information

>4ex9 Chain A (length=302) Species: 569580 (Streptomyces sp. CM020)

PDQLLEVSDEIATALAERRPVVALESSLITTDPSSETASLIEKAVRGAGA
VPATIGIAGGKLVVGLTDSLIERFASTKGIPKISARDIGGALAGGGLGAT
TVAGTIVIAERAGIQVFTTAGIGGVHRRGEDTLDISPDLLQFRKTKMTVV
SGGAKSILDHRLTAEYLETAGVPVYGYRTDKLAAFVVREADVPVTRMDDL
HTAARAAEAHWQVNGPGTVLLTSPIDEQDAVDEAIVEAAIAEALAQCDQE
GIVGNAVSPYLMKALARASGGMLPKAGRSLLLSTARVAGEFSAALSAVQA
ER

Ligand information

• Ligand ID: 5RP
• InChI: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m1/s1
• InChIKey: FNZLKVNUWIIPSJ-UHNVWZDZSA-N
• SMILES:
  CACTVS 3.341: OCC(=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(C(=O)CO)O)O)OP(=O)(O)O
  CACTVS 3.341: OCC(=O)[CH](O)[CH](O)CO[P](O)(O)=O
  ACDLabs 10.04: O=P(O)(O)OCC(O)C(O)C(=O)CO
  OpenEye OEToolkits 1.5.0: C([C@H]([C@H](C(=O)CO)O)O)OP(=O)(O)O
• Formula: C5 H11 O8 P
• Name: RIBULOSE-5-PHOSPHATE
• ZINC: ZINC000001532567
• PDB chain: 4ex9 Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ex9 Structural basis for C-ribosylation in the alnumycin A biosynthetic pathway.
• Resolution: 3.15 Å
• Binding residue (original residue number in PDB): T105 V106 H130 S140 D142 K159
• Binding residue (residue number reindexed from 1): T101 V102 H126 S136 D138 K155
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0004730 pseudouridylate synthase activity
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0001522 pseudouridine synthesis

External links

• PDB: RCSB:4ex9, PDBe:4ex9, PDBj:4ex9
• PDBsum: 4ex9
• PubMed: 23297194
• UniProt: B6SEG5