Structure of PDB 7mpo Chain G Binding Site BS01

Receptor Information
>7mpo Chain G (length=205) Species: 38323 (Bartonella henselae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEIRVHQGDLPNLDNYRIDAVAVDTETLGLQPHRDRLCVVQLSSGDGTAD
VIQIAKGQKSAPNLVRLLSDRDITKIFHFGRFDLAILAHTFGVMPDVVFC
TKIASKLTRTYTDRHGLKEICGELLNVNISKQQQSSDWAAETLSRAQIEY
AASDVLYLHRLKDIFEERLKREERESVAKACFQFLPMRANLDLLGWSEID
IFAHS
Ligand information
Ligand IDA3P
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyWHTCPDAXWFLDIH-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]3O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
FormulaC10 H15 N5 O10 P2
NameADENOSINE-3'-5'-DIPHOSPHATE
ChEMBLCHEMBL574817
DrugBankDB01812
ZINCZINC000004228234
PDB chain7mpo Chain G Residue 301 [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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PDB7mpo Structural characterization of NrnC identifies unifying features of dinucleotidases.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D25 E27 L31 H79 F80 F83 K103 G117 L118 Q135 Y151 D155
Binding residue
(residue number reindexed from 1)		D24 E26 L30 H78 F79 F82 K102 G116 L117 Q134 Y150 D154
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004527 exonuclease activity
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7mpo, PDBe:7mpo, PDBj:7mpo
PDBsum7mpo
PubMed34533457
UniProtX5MEI1

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