Structure of PDB 7z6h Chain K Binding Site BS03

Receptor Information
>7z6h Chain K (length=439) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENEPWVDKYKPETQHELAVHKKKIEEVETWLKAQVLERQPKQGGSILLIT
GPPGCGKTTTLKILSKEHGIQVQEWINPVLPYQSQIAVFKEFLLRATKYN
KLQMLGDDLRTDKKIILVEDLPNQFYRDSHTLHEVLRKYVRIGRCPLIFI
ISDSLSGDNNQRLLFPKEIQEECSISNISFNPVAPTIMMKFLNRIVTIEA
NKNGGKITVPDKTSLELLCQGCSGDIRSAINSLQFSSSKAIGGKDVSLFL
FRALGKILYCKRASLTELDSPRLPSHLSEYERDTLLVEPEEVVEMSHMPG
DLFNLYLHQNYIDFFMEIDDIVRASEFLSFADILSGDWNTRSLLREYSTS
IATRGVMHSNKARGYAHCQGGGSSFRPLHKPQWFLINKKYRENCLAAKAL
FPDLCLQTQLLPYLALLTIPMRNQAQISFIQDIGRLPLK
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain7z6h Chain K Residue 701 [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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PDB7z6h Structure of the human RAD17-RFC clamp loader and 9-1-1 checkpoint clamp bound to a dsDNA-ssDNA junction.
Resolution3.59 Å
Binding residue
(original residue number in PDB)		V92 Y95 A104 G140 K143 T145 S259 R334
Binding residue
(residue number reindexed from 1)		V6 Y9 A18 G54 K57 T59 S152 R227
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.11.2: exodeoxyribonuclease III.
Gene Ontology
Molecular Function
GO:0003682 chromatin binding
GO:0003684 damaged DNA binding
GO:0003689 DNA clamp loader activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008311 double-stranded DNA 3'-5' DNA exonuclease activity
GO:0140463 chromatin-protein adaptor activity
Biological Process
GO:0000076 DNA replication checkpoint signaling
GO:0000077 DNA damage checkpoint signaling
GO:0006281 DNA repair
GO:0006325 chromatin organization
GO:0006974 DNA damage response
GO:0008156 negative regulation of DNA replication
GO:0021762 substantia nigra development
GO:0031573 mitotic intra-S DNA damage checkpoint signaling
GO:0033314 mitotic DNA replication checkpoint signaling
GO:0042325 regulation of phosphorylation
GO:0051598 meiotic recombination checkpoint signaling
GO:0071479 cellular response to ionizing radiation
GO:1990166 protein localization to site of double-strand break
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005694 chromosome
GO:0005730 nucleolus
GO:0030896 checkpoint clamp complex
GO:0031389 Rad17 RFC-like complex
GO:0035861 site of double-strand break
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7z6h, PDBe:7z6h, PDBj:7z6h
PDBsum7z6h
PubMed35819203
UniProtO60671|RAD1_HUMAN Cell cycle checkpoint protein RAD1 (Gene Name=RAD1);
O75943

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