Structure of PDB 7bmf Chain A Binding Site BS03

Receptor Information
>7bmf Chain A (length=444) Species: 187420 (Methanothermobacter thermautotrophicus str. Delta H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPDSILKRGAEASKVLEEHLERGNIIRIISHNDADGLSAAGVVARAISSM
NGQFHISILSRLKKEFIKKLSGEKYSLFFFCDMGSAYLEEISRLKGDVIV
ADHHQPSESEAGPHVVHINPHLHGLDGSRDLSASGTAYLATRLLNRKTAP
LALVGALGDMQYTDGFTGANRFIMEEAVEEGVLQVHSDLKLASRYTEPLY
RSIAYTFNPALPGLTGDMEASMGFLENIGVSYGVKYPDLSPEERDVLRDE
LTRINPEIFGEVFTSREFRNIGDLSDIAGVLDACGKNRKYGIGIGLCLGE
REGALDVALELQKNYREELVKGLAWIRREGSTTLENLQYIYSEDKAFKGI
MGTIASISLSLKILDPDIPLLGLSRMDQHVKVSARTTRPAVERGVNLGVA
LRDAAASFGGTGGGHDIAAGAMVPYRDMESFLQLVDEILGTQTG
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 chain7bmf Chain A Residue 503 [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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PDB7bmf Crystal structure of RecJCdc45 from Methanothermobacter thermoautotroficus
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H43 D45 D94 H115 H116 D171 M172 H427 I429 A430
Binding residue
(residue number reindexed from 1)		H31 D33 D82 H103 H104 D159 M160 H415 I417 A418
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0004527 exonuclease activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7bmf, PDBe:7bmf, PDBj:7bmf
PDBsum7bmf
PubMed
UniProtO27473

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