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Receptor Information

>8kg6 Chain 3 (length=645) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DAVFGDRVRRFQEFLDTFTSYRDSVRSIQVYNSNNAANSTSLNILPHRII
ISLDDLREFDRSFWSGILVEPAYFIPPAEKALTDLADSMDDVPHPNASAV
SSRHPWKLSFKGSFGAHALSPRTLTAQHLNKLVSVEGIVTKTSLVRPKLI
RSVHYAAKTGRFHYRDYTDATTTLTTRIPTPAIYPTEDTEGNKLTTEYGY
STFIDHQRITVQEMPEMAPAGQLPRSIDVILDDDLVDKTKPGDRVNVVGV
FKSLGAGGMNQSNSNTLIGFKTLILGNTVYPLHARSTGVAARQMLTDFDI
RNINKLSKKKDIFDILSQSLAPSIYGHDHIKKAILLMLMGGVEKNLENGS
HLRGDINILMVGDPSTAKSQLLRFVLNTASLAIATTGRGSSGVGLTAAVT
TDRETGERRLEAGAMVLADRGVVCIDEFDKMTDVDRVAIHEVMEQQTVTI
AKAGIHTTLNARCSVIAAANPVFGQYDVNRDPHQNIALPDSLLSRFDLLF
VVTDDINEIRDRSISEHVLRTHRYLPPGYLEGEPVRERLNLSLAVGEDTE
IPKLVTIPFLRKYVQYAKERVIPQLTQEAINVIVKNYTDLRNDDNTKKSP
ITARTLETLIRLATAHAKVRLSKTVNKVDAKVAANLLRFALLGED

Ligand ID

AGS

InChI

InChI=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

InChIKey

NLTUCYMLOPLUHL-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370	Nc1ncnc2n(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 3.370	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6	c1nc(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 12.01	O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O

Formula

C10 H16 N5 O12 P3 S

Name

PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE

PDB chain

8kg6 Chain 7 Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8kg6 Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Resolution	3.07 Å
Binding residue (original residue number in PDB)	R542 A699
Binding residue (residue number reindexed from 1)	R495 A603
Annotation score	4

Enzyme Commision number

3.6.4.12: DNA helicase.

	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

PDB	RCSB:8kg6, PDBe:8kg6, PDBj:8kg6
PDBsum	8kg6
PubMed	37730685
UniProt	P24279\|MCM3_YEAST DNA replication licensing factor MCM3 (Gene Name=MCM3)

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Structure of PDB 8kg6 Chain 3 Binding Site BS03