Structure of PDB 4fhv Chain A Binding Site BS01

Receptor Information
>4fhv Chain A (length=323) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHKEFTKFCYEVYNEIKISDKEFKEKRAALDTLRLCLKRISPDAELVAFG
SLESGLALKNSDMDLCVLMDSRVQSDTIALQFYEELIAEGFEGKFLQRAR
IPIIKLTSDTKNGFGASFQCDIGFNNRLAIHNTLLLSSYTKLDARLKPMV
LLVKHWAKRKQINSPYFGTLSSYGYVLMVLYYLIHVIKPPVFPNLLLSPL
KQEKIVDGFDVGFDDKLEDIPPSQNYSSLGSLLHGFFRFYAYKFEPREKV
VTFRRPDGYLTKQEKGWTRYILAIEDPFEISHNVGRTVSSSGLYRIRGEF
MAASRLLNSRSYPIPYDSLFEEA
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain4fhv Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4fhv Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		F88 S90 K193 K197 S211 Y212 H336
Binding residue
(residue number reindexed from 1)		F49 S51 K154 K158 S172 Y173 H282
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.52: RNA uridylyltransferase.
External links
PDB RCSB:4fhv, PDBe:4fhv, PDBj:4fhv
PDBsum4fhv
PubMed22885303
UniProtO13833|CID1_SCHPO Terminal uridylyltransferase cid1 (Gene Name=cid1)

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