Structure of PDB 2chq Chain B Binding Site BS01

Receptor Information
>2chq Chain B (length=313) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IWVEKYRPRTLDEVVGQDEVIQRLKGYVERKNIPHLLFSGPPGTGKTATA
IALARDLFGENWRDNFIEMNASDERGIDVVRHKIKEFARTAPIGGAPFKI
IFLDEADALTADAQAALRRTMEMYSKSCRFILSCNYVSRIIEPIQSRCAV
FRFKPVPKEAMKKRLLEICEKEGVKITEDGLEALIYISGGDFRKAINALQ
GAAAIGEVVDADTIYQITATARPEEMTELIQTALKGNFMEARELLDRLMV
EYGMSGEDIVAQLFREIISMPIKDSLKVQLIDKLGEVDFRLTEGANERIQ
LDAYLAYLSTLAK
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain2chq Chain B Residue 700 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2chq Communication between Subunits within an Archaeal Clamp-Loader Complex.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		V8 Y11 R12 P13 V19 V20 G48 T49 G50 K51 T52 A53 F197 R198
Binding residue
(residue number reindexed from 1)		V3 Y6 R7 P8 V14 V15 G43 T44 G45 K46 T47 A48 F192 R193
Annotation score3
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
GO:0006261 DNA-templated DNA replication
GO:0006281 DNA repair
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:2chq, PDBe:2chq, PDBj:2chq
PDBsum2chq
PubMed16628222
UniProtO28219|RFCS_ARCFU Replication factor C small subunit (Gene Name=rfcS)

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