Structure of PDB 7pt7 Chain 8 Binding Site BS02

Receptor Information

>7pt7 Chain 8 (length=402) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DIPPEIKEEMIQLYHDLPGIENEYKLIDKIGEGTFSSVYKAKDITGKITK
KFASHFWNYGSNYVALKKIYVTSSPQRIYNELNLLYIMTGSSRVAPLCDA
KRVRDQVIAVLPYYPHEEFRTFYRDLPIKGIKKYIWELLRALKFVHSKGI
IHRDIKPTNFLFNLELGRGVLVDFGLAEAQMDYKSNHEQFCPCIMRNQYS
VNGVDLTKGYPKNETRRIKRANRAGTRGFRAPEVLMKCGAQSTKIDIWSV
GVILLSLLGRRFPMFQSLDDADSLLELCTIFGWKELRKCAALHGLGFEAS
GLIWDKPNGYSNGLKEFVYDLLNKECTIGTFPEYSVAFETFGFLQQELHD
DAYELKKYQEEIWSDHYWCFQVLEQCFEMDPQKRSSAEDLLKTPFFNELN
EN

Ligand information

Ligand ID

ADP

InChI

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

InChIKey

XTWYTFMLZFPYCI-KQYNXXCUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04	O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N

Formula

C10 H15 N5 O10 P2

Name

ADENOSINE-5'-DIPHOSPHATE

PDB chain

7pt7 Chain 8 Residue 1001 [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	7pt7 The structural basis of Cdc7-Dbf4 kinase dependent targeting and phosphorylation of the MCM2-7 double hexamer.
Resolution	3.8 Å
Binding residue (original residue number in PDB)	G40 F44 V47 K76 Y123 T167 L170 V181 D182
Binding residue (residue number reindexed from 1)	G31 F35 V38 K67 Y114 T158 L161 V172 D173
Annotation score	5

Enzymatic activity

Enzyme Commision number

2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

	Molecular Function
GO:0004672	protein kinase activity
GO:0004674	protein serine/threonine kinase activity
GO:0005515	protein binding
GO:0005524	ATP binding
GO:0042802	identical protein binding
GO:0044024	histone H2AS1 kinase activity
GO:0046872	metal ion binding
GO:0106310	protein serine kinase activity

	Biological Process
GO:0000727	double-strand break repair via break-induced replication
GO:0001100	negative regulation of exit from mitosis
GO:0006270	DNA replication initiation
GO:0006279	premeiotic DNA replication
GO:0006338	chromatin remodeling
GO:0006468	protein phosphorylation
GO:0007165	signal transduction
GO:0016310	phosphorylation
GO:0031503	protein-containing complex localization
GO:0033314	mitotic DNA replication checkpoint signaling
GO:0051301	cell division
GO:0051321	meiotic cell cycle
GO:0060903	positive regulation of meiosis I
GO:1902977	mitotic DNA replication preinitiation complex assembly
GO:1903343	positive regulation of meiotic DNA double-strand break formation
GO:1904968	positive regulation of spindle attachment to meiosis I kinetochore
GO:1905263	positive regulation of meiotic DNA double-strand break formation involved in reciprocal meiotic recombination
GO:1905342	positive regulation of protein localization to kinetochore
GO:1905561	positive regulation of kinetochore assembly

	Cellular Component
GO:0000775	chromosome, centromeric region
GO:0000785	chromatin
GO:0005634	nucleus
GO:0005813	centrosome
GO:0031431	Dbf4-dependent protein kinase complex

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Cellular Component

External links

PDB	RCSB:7pt7, PDBe:7pt7, PDBj:7pt7
PDBsum	7pt7
PubMed	35614055
UniProt	P06243\|CDC7_YEAST Cell division control protein 7 (Gene Name=CDC7)

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