Structure of PDB 7z13 Chain b Binding Site BS02

Receptor Information
>7z13 Chain b (length=633) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAVFGDRVRRFQEFLDTFTSYRDSVRSIQVYNSNNAANYNDDNILPHRII
ISLDDLREFDRSFWSGILVEPAYFIPPAEKALTDLADSMDDVPHPNASAV
SSRHPWKLSFKGSFGAHALSPRTLTAQHLNKLVSVEGIVTKTSLVRPKLI
RSVHYAAKTGRFHYRDYTDATTTLTTRIPTPAIYPTEDTEGNKLTTEYGY
STFIDHQRITVQEMPEMAPAGQLPRSIDVILDDDLVDKTKPGDRVNVVGV
FKSLGAGGMNQSNSNTLIGFKTLILGNTVYPLRQMLTDFDIRNINKLSKK
KDIFDILSQSLAPSIYGHDHIKKAILLMLMGGVEKNLENGSHLRGDINIL
MVGDPSTAKSQLLRFVLNTASLAIATTGRGSSGVGLTAAVTTDRETGERR
LEAGAMVLADRGVVCIDEFDKMTDVDRVAIHEVMEQQTVTIAKAGIHTTL
NARCSVIAAANPVFGQYDVNRDPHQNIALPDSLLSRFDLLFVVTDDINEI
RDRSISEHVLRTHRYLPPGYLEGEPVRERLNLSLAVGEDPKLVTIPFLRK
YVQYAKERVIPQLTQEAINVIVKNYTDLRNDDNTKKSPITARTLETLIRL
ATAHAKVRLSKTVNKVDAKVAANLLRFALLGED
Ligand information
Ligand IDATP
InChIInChI=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
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(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
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7z13 Chain b Residue 1101 [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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PDB7z13 Mechanism of replication origin melting nucleated by CMG helicase assembly.
Resolution3.4 Å
Binding residue
(original residue number in PDB)
Y372 S412 A414 K415 S416 Q417
Binding residue
(residue number reindexed from 1)
Y316 S356 A358 K359 S360 Q361
Annotation score5
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:0032508 DNA duplex unwinding
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

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:7z13, PDBe:7z13, PDBj:7z13
PDBsum7z13
PubMed35705812
UniProtP24279|MCM3_YEAST DNA replication licensing factor MCM3 (Gene Name=MCM3)

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