Structure of PDB 5a2x Chain B Binding Site BS01

Receptor Information
>5a2x Chain B (length=467) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKKTFTEVQTERLEQADRSVLIKCPSKLNEKKLLQYLSSHGKIDNYFFFE
NRGIHALIEFSEKSSVASLQAVTGIPKHVVPYKSRLFTFTLKNPGSQAEE
RPVKISPQSHIPVNELIPKLCHADSISSQMYILLNEYQLTEENIKLRYLA
CSLVRDFARAYFPDSTVKPFGSSVNTFGKLGCDVDMFLDFHDMKKGPFEM
EYQMKRLPSERLATQKILSIIGDCLDNFGPGYSSVQKILNARCPLVKFSH
QPTGFQCDLSVSNSIAIRCSELLYIYGCLDPRVRALVFSLRCWARVHGLT
NSVPGTWITNFSLTMMIMFFLQKRSPPIIPTLDQLKELADEKDKHVIGGY
DCSFVSDLSKIKPTKNTETLDELLCDFFQYFGNFDFRKNSLNLRKGKEVN
KPESSPLYIWNPFEQDLNISKNVNQPQLEKFVAMARESAWILQKEDKTQQ
MINKEPWGLAAVLIPFG
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 chain5a2x Chain B Residue 1529 [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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PDB5a2x Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F224 S226 D239 C330 F372
Binding residue
(residue number reindexed from 1)		F170 S172 D185 C269 F311
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) G283 G290 K298 I408 S465
Catalytic site (residue number reindexed from 1) G222 G229 K237 I347 S404
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0002134 UTP binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016740 transferase activity
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:1990817 poly(A) RNA polymerase activity
Biological Process
GO:0000965 mitochondrial RNA 3'-end processing
GO:0016070 RNA metabolic process
GO:0071044 histone mRNA catabolic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5a2x, PDBe:5a2x, PDBj:5a2x
PDBsum5a2x
PubMed26319014
UniProtF1NBW0

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