Structure of PDB 7fh9 Chain A Binding Site BS01

Receptor Information
>7fh9 Chain A (length=140) Species: 10506 (Paramecium bursaria Chlorella virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KAEKFYSLACYHAQLFSKDPNTKVAALVIDNNNNIASVGYNGLPRGFEET
SDRWEKPMKYNYVVHAQANAIATAARNGVRLDGCSIITTLFPCKECSKLI
IQSGIRKVITSKPCKDSSWLESFSFSNEMFDECGIEVEYL
Ligand information
Ligand IDTTP
InChIInChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyNHVNXKFIZYSCEB-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H17 N2 O14 P3
NameTHYMIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL363559
DrugBankDB02452
ZINCZINC000008215959
PDB chain7fh9 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fh9 Structural basis of a multi-functional deaminase in chlorovirus PBCV-1.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K20 V40 Y42 G44 L45 R47 E51 N71
Binding residue
(residue number reindexed from 1)		K18 V38 Y40 G42 L43 R45 E49 N69
Annotation score2
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7fh9, PDBe:7fh9, PDBj:7fh9
PDBsum7fh9
PubMed35764100
UniProtO41078

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