BioLiP

Receptor Information

>7v3u Chain 2 (length=628) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LTLESLSNVKANSYSEWITQPNVSRTIARELKSFLLEYTDETGRSVYGAR
IRTLGEMNSESLEVNYRHLAESKAILALFLAKCPEEMLKIFDLVAMEATE
LHYPDYARIHSEIHVRISDFPTIYSLRELRESNLSSLVRVTGVVTRRTGV
FPQLKYVKFNCLKCGSILGPFFQDSNEEIRISFCTNCKSKGPFRVNGEKT
VYRNYQRVTLQEAPGTVPPGRLPRHREVILLADLVDVSKPGEEVEVTGIY
KNNYDGNLNAKNGFPVFATIIEANSIKRRVFSWTEEEEREFRKISRDRGI
IDKIISSMAPSIYGHRDIKTAVACSLFGGVPKNVNGKHSIRGDINVLLLG
DPGTAKSQILKYVEKTAHRAVFATGQGASAVGLTASVRKDPITKEWTLEG
GALVLADKGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVTTLQAR
CSIIAAANPNGGRYNSTLPLAQNVSLTEPILSRFDILCVVRDLVDEEADE
RLATFVVDSHVRSHPENSPIPQELLMKYIHYARTKIYPKLHQMDMDKVSR
VYADLRRESISTGSFPITVRHLESILRIAESFAKMRLSEFVSSYDLDRAI
KVVVDSFVDAQKVSVRRQLRRSFAIYTL

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

7v3u Chain 2 Residue 2001 [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	7v3u Structural Insight into the MCM double hexamer activation by Dbf4-Cdc7 kinase.
Resolution	3.2 Å
Binding residue (original residue number in PDB)	Y506 P545 G546 T547 A548 K549 S550 Q551 N651 L695
Binding residue (residue number reindexed from 1)	Y313 P352 G353 T354 A355 K356 S357 Q358 N458 L502
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:0008270	zinc ion binding
GO:0016787	hydrolase activity
GO:0016887	ATP hydrolysis activity
GO:0017116	single-stranded DNA helicase activity
GO:0043138	3'-5' DNA helicase activity
GO:0046872	metal ion 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:0006974	DNA damage response
GO:0032508	DNA duplex unwinding
GO:1902975	mitotic DNA replication initiation
GO:1905775	negative regulation of DNA helicase activity

	Cellular Component
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:7v3u, PDBe:7v3u, PDBj:7v3u
PDBsum	7v3u
PubMed	35296675
UniProt	P29469\|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)

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Structure of PDB 7v3u Chain 2 Binding Site BS01