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Receptor Information

>6wgg Chain 9 (length=373) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KALLQKSSELARTAEYEQVMNFLAKAISEHRSDSLYITGPPGTGKTAQLD
MIIRQKFQSLESVAVTSINCISLGEPSSIFQKIFDSFQDLNGPTLQIKNM
QHLQKFLEPYHKKTTFVVVLDEMDRLLHANTSETQSVRTILELFLLAKLP
TVSFVLIGMANSLDMKDRFLSRLNLDRGLLPQTIVFQPYTAEQMYEIVIQ
KMSSLPTIIFQPMAIKFAAKKCAGNTGDLRKLFDVLRGSIEIYELEKLNY
IAKVFSKFVNNNSTRTRIAKLNIQQKLILCTIIQSLKLNSDATIDESFDH
YIKAITKTDTLAPLQRNEFLEICTILETCGLVSIKKTKCKGKTKRFVDKI
DVDLDMREFYDEMTKISILKPFL

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

6wgg Chain 9 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	6wgg Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Resolution	8.1 Å
Binding residue (original residue number in PDB)	P110 G111 G113 K114 T115 A116 I299 K333
Binding residue (residue number reindexed from 1)	P41 G42 G44 K45 T46 A47 I197 K231
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0003682	chromatin binding
GO:0003688	DNA replication origin binding
GO:0003924	GTPase activity
GO:0004861	cyclin-dependent protein serine/threonine kinase inhibitor activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0005525	GTP binding
GO:0016887	ATP hydrolysis activity

	Biological Process
GO:0000082	G1/S transition of mitotic cell cycle
GO:0006260	DNA replication
GO:0006267	pre-replicative complex assembly involved in nuclear cell cycle DNA replication
GO:0006270	DNA replication initiation
GO:0030174	regulation of DNA-templated DNA replication initiation
GO:0033314	mitotic DNA replication checkpoint signaling
GO:0051301	cell division
GO:0140530	MCM complex loading

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005656	nuclear pre-replicative complex
GO:0005694	chromosome
GO:0005737	cytoplasm
GO:0031261	DNA replication preinitiation complex

PDB	RCSB:6wgg, PDBe:6wgg, PDBj:6wgg
PDBsum	6wgg
PubMed	32669428
UniProt	P09119\|CDC6_YEAST Cell division control protein 6 (Gene Name=CDC6)

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Structure of PDB 6wgg Chain 9 Binding Site BS01