Structure of PDB 8p62 Chain 3 Binding Site BS02
Receptor Information
>8p62 Chain 3 (length=649) Species:
4932
(Saccharomyces cerevisiae) [
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DAVFGDRVRRFQEFLDTFTSYRDSVRSIQVYNSNNAANYLNILPHRIIIS
LDDLREFDRSFWSGILVEPAYFIPPAEKALTDLADSMDDVPHPNASAVSS
RHPWKLSFKGSFGAHALSPRTLTAQHLNKLVSVEGIVTKTSLVRPKLIRS
VHYAAKTGRFHYRDYTDATTTLTTRIPTPAIYPTEDTEGNKLTTEYGYST
FIDHQRITVQEMPEMAPAGQLPRSIDVILDDDLVDKTKPGDRVNVVGVFK
SLGAGGMNQSNSNTLIGFKTLILGNTVYPLHARQMLTDFDIRNINKLSKK
KDIFDILSQSLAPSIYGHDHIKKAILLMLMGGVEKNLENGSHLRGDINIL
MVGDPSTAKSQLLRFVLNTASLAIATTGRGSSGVGLTAAVTTDRETGERR
LEAGAMVLADRGVVCIDEFDKMTDVDRVAIHEVMEQQTVTIAKAGIHTTL
NARCSVIAAANPVFGQYDVNRDPHQNIALPDSLLSRFDLLFVVTDDINEI
RDRSISEHVLRTHRYLPPGYLEGEPVRERLNLSLAVGEQAGAKLAKNKGN
YNGTEIPKLVTIPFLRKYVQYAKERVIPQLTQEAINVIVKNYTDLRNDDN
TKKSPITARTLETLIRLATAHAKVRLSKTVNKVDAKVAANLLRFALLGE
Ligand information
Ligand ID
ATP
InChI
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey
ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
Formula
C10 H16 N5 O13 P3
Name
ADENOSINE-5'-TRIPHOSPHATE
ChEMBL
CHEMBL14249
DrugBank
DB00171
ZINC
ZINC000004261765
PDB chain
8p62 Chain 3 Residue 1002 [
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Receptor-Ligand Complex Structure
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PDB
8p62
Unwinding of a eukaryotic origin of replication visualized by cryo-EM.
Resolution
3.9 Å
Binding residue
(original residue number in PDB)
I371 Y372 S412 T413 A414 K415 S416 Q417
Binding residue
(residue number reindexed from 1)
I315 Y316 S356 T357 A358 K359 S360 Q361
Annotation score
5
Enzymatic activity
Enzyme Commision number
3.6.4.12
: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677
DNA binding
GO:0003682
chromatin binding
GO:0003688
DNA replication origin binding
GO:0003697
single-stranded DNA binding
GO:0004386
helicase activity
GO:0005515
protein binding
GO:0005524
ATP binding
GO:0016787
hydrolase activity
GO:0016887
ATP hydrolysis activity
GO:0017116
single-stranded DNA helicase activity
GO:1904931
MCM complex binding
Biological Process
GO:0000727
double-strand break repair via break-induced replication
GO:0006260
DNA replication
GO:0006267
pre-replicative complex assembly involved in nuclear cell cycle DNA replication
GO:0006268
DNA unwinding involved in DNA replication
GO:0006270
DNA replication initiation
GO:0006271
DNA strand elongation involved in DNA replication
GO:0006279
premeiotic DNA replication
GO:0030466
silent mating-type cassette heterochromatin formation
GO:0031509
subtelomeric heterochromatin formation
GO:1902975
mitotic DNA replication initiation
Cellular Component
GO:0000781
chromosome, telomeric region
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005656
nuclear pre-replicative complex
GO:0005737
cytoplasm
GO:0031261
DNA replication preinitiation complex
GO:0031298
replication fork protection complex
GO:0042555
MCM complex
GO:0043596
nuclear replication fork
GO:0071162
CMG complex
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:8p62
,
PDBe:8p62
,
PDBj:8p62
PDBsum
8p62
PubMed
38760633
UniProt
P24279
|MCM3_YEAST DNA replication licensing factor MCM3 (Gene Name=MCM3)
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