Structure of PDB 2z4r Chain B Binding Site BS02

Receptor Information
>2z4r Chain B (length=240) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPLNPDYTFENFVVGPGNSFAYHAALEVAKHPGRYNPLFIYGGVGLGKTH
LLQSIGNYVVQNEPDLRVMYITSEKFLNDLVDSMKEGKLNEFREKYRKKV
DILLIDDVQFLIGKTGVQTELFHTFNELHDSGKQIVICSDREPQKLSEFQ
DRLVSRFQMGLVAKLEPPDEETRKSIARKMLEIEHGELPEEVLNFVAENV
DDNLRRLRGAIIKLLVYKETTGKEVDLKEAILLLKDFIKP
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 chain2z4r Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2z4r A Common Mechanism for the ATP-DnaA-dependent Formation of Open Complexes at the Replication Origin
Resolution3.05 Å
Binding residue
(original residue number in PDB)		Y102 F107 V108 V139 G140 L141 G142 K143 T144 H145 I271 L299 R300
Binding residue
(residue number reindexed from 1)		Y7 F12 V13 V44 G45 L46 G47 K48 T49 H50 I176 L204 R205
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003688 DNA replication origin binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0006275 regulation of DNA replication
Cellular Component
GO:0005737 cytoplasm
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2z4r, PDBe:2z4r, PDBj:2z4r
PDBsum2z4r
PubMed18216012
UniProtP46798|DNAA_THEMA Chromosomal replication initiator protein DnaA (Gene Name=dnaA)

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