Structure of PDB 5eom Chain D Binding Site BS01

Receptor Information
>5eom Chain D (length=342) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMDIAAQAKLVYHLNKYYNEKCQARKAAIAKTIREVCKVVSDVLKEVEVQ
EPRFISRYEGLEVISPTEFEVVLYLNQMGVFNFVDDGSLPGCAVLKLSDG
RKRSMSLWVEFITASGYLSARKIRSRFQTLVAQAVDKCSYRDVVKMVADT
SEVKLRIRDRYVVQITPAFKCTGIWPRSAAHWPLPHIPWPGPNRVAEVKA
EGFNLLSKECDAWVLQFAEAENRLQMGGCRKKCLSILKTLRDRHLELPGQ
PLNNYHMKTLVSYECEKHPRESDWDESCLGDRLNGILLQLISCLQCRRCP
HYFLPNLDLFQGKPHSALENAAKQTWRLAREILTNPKSLEKL
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 chain5eom Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5eom Structural and biochemical characterization of the cell fate determining nucleotidyltransferase fold protein MAB21L1.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		R23 K24 I31 R62 Y63 L66 V68 K248 S252 K255
Binding residue
(residue number reindexed from 1)		R25 K26 I33 R57 Y58 L61 V63 K231 S235 K238
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0005525 GTP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0001654 eye development
GO:0008283 cell population proliferation
GO:0008284 positive regulation of cell population proliferation
GO:0009653 anatomical structure morphogenesis
GO:0043010 camera-type eye development
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5eom, PDBe:5eom, PDBj:5eom
PDBsum5eom
PubMed27271801
UniProtQ13394|MB211_HUMAN Putative nucleotidyltransferase MAB21L1 (Gene Name=MAB21L1)

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