Structure of PDB 4fhx Chain A Binding Site BS01

Receptor Information
>4fhx 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
VTFRRPDGYLTKQEKGWTRYILAIEDPFEISNNVGRTVSSSGLYRIRGEF
MAASRLLNSRSYPIPYDSLFEEA
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain4fhx 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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PDB4fhx Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		F88 G89 S90 N171 S211 Y212 R340
Binding residue
(residue number reindexed from 1)		F49 G50 S51 N132 S172 Y173 R286
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.52: RNA uridylyltransferase.
External links
PDB RCSB:4fhx, PDBe:4fhx, PDBj:4fhx
PDBsum4fhx
PubMed22885303
UniProtO13833|CID1_SCHPO Terminal uridylyltransferase cid1 (Gene Name=cid1)

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