Structure of PDB 2qby Chain A Binding Site BS03

Receptor Information
>2qby Chain A (length=366) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IFINREYLLPDYIPDELPHREDQIRKIASILAPLYREEKPNNIFIYGLTG
TGKTAVVKFVLSKLHKKFLGKFKHVYINTRQIDTPYRVLADLLESLDVKV
PFTGLSIAELYRRLVKAVRDYGSQVVIVLDEIDAFVKKYNDDILYKLSRI
NSEVNKISFIGITNDVKFVDLLDPRVKSSLSEEEIIFPPYNAEELEDILT
KRAQMAFKPGVLPDNVIKLCAALAAREHGDARRALDLLRVSGEIAERMKD
TKVKEEYVYMAKEEIERDRVRDIILTLPFHSKLVLMAVVSISVSTTGAVY
ETYLNICKKLGVEAVTQRRVSDIINELDMVGILTAKVVNRGRYGKTKEIG
LAVDKNIIVRSLIESD
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 A Residue 8 [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)		L33 P34 G66 G68 K69 T70 A71 Y208 I216 R220 R250
Binding residue
(residue number reindexed from 1)		L17 P18 G50 G52 K53 T54 A55 Y190 I198 R202 R232
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
UniProtQ980N4|CDC61_SACS2 ORC1-type DNA replication protein 1 (Gene Name=cdc6-1)

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