Structure of PDB 7o0n Chain A Binding Site BS01

Receptor Information

>7o0n Chain A (length=194) Species: 246197 (Myxococcus xanthus DK 1622)

VLKLPIESIHRDKDQPRTYFDEEKLKELSESIKAQGVLQPILVRKDGDGY
RIIAGARRWRASQAAGLKEVPAIVRDVTEVQAFELALVENLQRADLNPIE
EAEGYKRLVDEFKLTQEQVSVRVGKERSTVANALRLLALPTDVKGMVADG
SLSMGHARALLGVPRLPELQNLAKQVADKKLSVRDTERLVQQSR

Ligand information

• Ligand ID: CDP
• InChI: InChI=1S/C9H15N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: ZWIADYZPOWUWEW-XVFCMESISA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
• Formula: C9 H15 N3 O11 P2
• Name: CYTIDINE-5'-DIPHOSPHATE
• ChEMBL: CHEMBL425252
• DrugBank: DB04555
• ZINC: ZINC000008215624
• PDB chain: 7o0n Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7o0n The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): R54 L65 S68 V74 L75 Q76 G92 R94 R95 E126 R130
• Binding residue (residue number reindexed from 1): R17 L28 S31 V37 L38 Q39 G55 R57 R58 E89 R93
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003677 DNA binding

External links

• PDB: RCSB:7o0n, PDBe:7o0n, PDBj:7o0n
• PDBsum: 7o0n
• PubMed: 34562373
• UniProt: Q1CVJ4|PARB_MYXXD Chromosome-partitioning protein ParB (Gene Name=parB)