Structure of PDB 7nmj Chain C Binding Site BS02

Receptor Information
>7nmj Chain C (length=266) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIDNYRVKPGKRVKLSDWATNDDAGLSKEEGQAQTAKLAGELAEWQERL
YAEGKQSLLLILQARDAAGKDGAVKKVIGAFNPAGVQITSFKQPSAEELS
HDFLWRIHQKAPAKGYVGVFNRSQYEDVLVTRVYDMIDDKTAKRRLEHIR
HFEELLTDNATRIVKVYLHISPEEQKERLQARLDNPGKHWKFNPGDLKDR
SNWDKFNDVYEDALTTSTDDAPWYVVPADRKWYRDLVLSHILLGALKDMN
PQFPAIDYDPSKVVIH
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7nmj Chain C Residue 302 [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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PDB7nmj Crystal structure of Polyphosphate Kinase 2 from Deinococcus radiodurans in complex with ADP
Resolution2.08 Å
Binding residue
(original residue number in PDB)		A67 A68 G69 K70 D71 G72 R182 K188 K191 K231 R234
Binding residue
(residue number reindexed from 1)		A67 A68 G69 K70 D71 G72 R182 K188 K191 K231 R234
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008976 polyphosphate kinase activity
GO:0016776 phosphotransferase activity, phosphate group as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0006797 polyphosphate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7nmj, PDBe:7nmj, PDBj:7nmj
PDBsum7nmj
PubMed
UniProtQ9RY20

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