Structure of PDB 7fh4 Chain B Binding Site BS01

Receptor Information

>7fh4 Chain B (length=140) Species: 10506 (Paramecium bursaria Chlorella virus 1)

KAEKFYSLACYHAQLFSKDPNTKVAALVIDNNNNIASVGYNGLPRGFEET
SDRWEKPMKYNYVVHAQANAIATAARNGVRLDGCSIITTLFPCKECSKLI
IQSGIRKVITSKPCKDSSWLESFSFSNEMFDECGIEVEYL

Ligand information

• Ligand ID: DCM
• InChI: InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
• InChIKey: NCMVOABPESMRCP-SHYZEUOFSA-N
• SMILES:
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
  OpenEye OEToolkits 1.5.0: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
  ACDLabs 10.04: O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
  OpenEye OEToolkits 1.5.0: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
• Formula: C9 H14 N3 O7 P
• Name: 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
• ChEMBL: CHEMBL374699
• DrugBank: DB03798
• ZINC: ZINC000003861759
• PDB chain: 7fh4 Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7fh4 Structural basis of a multi-functional deaminase in chlorovirus PBCV-1.
• Resolution: 1.996 Å
• Binding residue (original residue number in PDB): D21 T24 V26 N43 K58 K61 Y62 H67 Q69 P94 W121
• Binding residue (residue number reindexed from 1): D19 T22 V24 N41 K56 K59 Y60 H65 Q67 P92 W119
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0003824 catalytic activity
• GO:0004132 dCMP deaminase activity
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006220 pyrimidine nucleotide metabolic process

External links

• PDB: RCSB:7fh4, PDBe:7fh4, PDBj:7fh4
• PDBsum: 7fh4
• PubMed: 35764100
• UniProt: O41078