Structure of PDB 1iqp Chain E Binding Site BS01

Receptor Information
>1iqp Chain E (length=326) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEEIREVKVLEKPWVEKYRPQRLDDIVGQEHIVKRLKHYVKTGSMPHLLF
AGPPGVGKTTAALALARELFGENWRHNFLELNASDERGINVIREKVKEFA
RTKPIGGASFKIIFLDEADALTQDAQQALRRTMEMFSSNVRFILSCNYSS
KIIEPIQSRCAIFRFRPLRDEDIAKRLRYIAENEGLELTEEGLQAILYIA
EGDMRRAINILQAAAALDKKITDENVFMVASRARPEDIREMMLLALKGNF
LKAREKLREILLKQGLSGEDVLVQMHKEVFNLPIEEPKKVLLADKIGEYN
FRLVEGANEIIQLEALLAQFTLIGKK
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 chain1iqp Chain E Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1iqp Atomic Structure of the Clamp Loader Small Subunit from Pyrococcus furiosus
Resolution2.8 Å
Binding residue
(original residue number in PDB)		V16 R20 P21 I27 V28 P55 G56 V57 G58 K59 T60 T61 R177 M205 R206
Binding residue
(residue number reindexed from 1)		V15 R19 P20 I26 V27 P54 G55 V56 G57 K58 T59 T60 R176 M204 R205
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003689 DNA clamp loader activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006260 DNA replication
Cellular Component
GO:0005663 DNA replication factor C complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1iqp, PDBe:1iqp, PDBj:1iqp
PDBsum1iqp
PubMed11545747
UniProtQ8U4J3|RFCS_PYRFU Replication factor C small subunit (Gene Name=rfcS)

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