Structure of PDB 8ui7 Chain A Binding Site BS02

Receptor Information
>8ui7 Chain A (length=643) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFQRVVHVQQKDDGCCLWHLKPPSCPLLTKFKELNTKVIDLSKCGIALGE
FSTLNSKLKSGNSAAVFMRTRKEFTEEVRNLLLEEIRWSNPEFSLKKYFP
LLLKKQITEDMLWTEKYQPQTASELIGNELAIKKLHSWLKDWKRRAELEE
RQNLKGKEEESRLCNTVLITGPTGVGKTAAVYACAQELGFKIFEVNASSQ
RSGRQILSQLKEATQSHQVDKQGVNSQKPCFFNSKNATSLILFEEVDVIF
DEDAGFLNAIKTFMATTKRPVILTTSDPTFSLMFDGCFEEIKFSTPSLLN
VASYLQMICLTENFRTDVKDFVTLLTANTCDIRKSILYLQFWIRSGGGVL
EERPLTLLPKCDSGCAETLFGLKNIFSPSEDLFSFLKHKITMKEEWHKFI
QLLTEFQMRNVDFLYSNLEFILPLPVDTIPTTAGKKCSALVSHCLNSLSE
FMDNMSFLDALLTDVREQNKYGRNDFSWTNGKVTSGLCDEFSLESNDGWT
SQSSGELKAAAEALSFTKCSSAISKALETLNSCKKLGRDPTNDLTFYVSQ
KRNNVYFSQSAANLDNAWKRISVIKSVFSSRSLLYVGNRQASIIEYLPTL
RNICKTEKLKEQGKSKRRFLHYFEGIHLDIPKETVNTLAADFP
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 chain8ui7 Chain A Residue 2002 [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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PDB8ui7 Cryo-EM map of human clmap-clamp loader ATAD5-RFC-closed PCNA complex
Resolution4.2 Å
Binding residue
(original residue number in PDB)		T1055 L1066 I1067 T1134 G1135 V1136 G1137 K1138 T1139 A1140 I1393 R1394
Binding residue
(residue number reindexed from 1)		T114 L125 I126 T173 G174 V175 G176 K177 T178 A179 I332 R333
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ui7, PDBe:8ui7, PDBj:8ui7
PDBsum8ui7
PubMed38871854
UniProtQ96QE3|ATAD5_HUMAN ATPase family AAA domain-containing protein 5 (Gene Name=ATAD5)

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