Structure of PDB 2qby Chain B Binding Site BS03

Receptor Information
>2qby Chain B (length=368) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNPKVFIDPLSVFKEIPFREDILRDAAIAIRYFVKNEVKFSNLFLGLTGT
GKTFVSKYIFNEIEEVKKEDEEYKDVKQAYVNCREVGGTPQAVLSSLAGK
LTGFSVPKHGINLGEYIDKIKNGTRNIRAIIYLDEVDTLVKRRGGDIVLY
QLLRSDANISVIMISNDINVRDYMEPRVLSSLGPSVIFKPYDAEQLKFIL
SKYAEYGLIKGTYDDEILSYIAAISAKEHGDARKAVNLLFRAAQLASGGG
IIRKEHVDKAIVDYEQERLIEAVKALPFHYKLALRSLIESEDVMSAHKMY
TDLCNKFKQKPLSYRRFSDIISELDMFGIVKIRIINRGRAGGVKKYALVE
DKEKVLRALNETFEDSIS
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 chain2qby Chain B Residue 9 [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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PDB2qby Replication origin recognition and deformation by a heterodimeric archaeal Orc1 complex.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		F29 I32 P33 G65 G67 K68 T69 F70 Y207 I215 Y219 R249
Binding residue
(residue number reindexed from 1)		F13 I16 P17 G49 G51 K52 T53 F54 Y191 I199 Y203 R233
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006260 DNA replication

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2qby, PDBe:2qby, PDBj:2qby
PDBsum2qby
PubMed17761879
UniProtQ97WM8|CDC63_SACS2 ORC1-type DNA replication protein 3 (Gene Name=cdc6-3)

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