Structure of PDB 7qen Chain A Binding Site BS04

Receptor Information
>7qen Chain A (length=465) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVEELIIDGFKSYATRTVITDWDPQFNAITGLNGSGKSNILDAICFVLG
IASMSTVRASSLQDLIYKRGQAGVTKASVTIVFDNTDKSNSPIGFTNSPQ
ISVTRQVVLGGTSKYLINGHRAPQQSVLQLFQSVQLNINNPNFLIMQGKI
TKVLNMKPSEILSLIEEAAGTKMFEDRREKAERTMSKKETKLQENRTLLT
EEIEPKLEKLRNEKRMFLEFQSTQTDLEKTERIVVSYEYYFDLVRNIVKQ
NEGIDLDTYRERSKQLNEKFQELRKKVNPNIMNMIENVEKKEAALKTMIK
TIEKDKMKIQETISKLNEYKRETLVKTWEKVTLDFGNIFADLLPNSFAKL
VPCEGKDVTQGLEVKVKLGNIWKESLIELSGGQRSLIALSLIMALLQFRP
APMYILDQVDAALDLSHTQNIGHLIKTRFKGSQFIVVSLKEGMFANANRV
FRTRFQDGTSVVSIM
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 chain7qen Chain A Residue 2000 [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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PDB7qen A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Resolution3.46 Å
Binding residue
(original residue number in PDB)		K12 N34 G37 K38 S39 N40 R58 K68 Q147
Binding residue
(residue number reindexed from 1)		K12 N34 G37 K38 S39 N40 R58 K68 Q147
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000217 DNA secondary structure binding
GO:0003680 minor groove of adenine-thymine-rich DNA binding
GO:0003682 chromatin binding
GO:0003690 double-stranded DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0000070 mitotic sister chromatid segregation
GO:0007059 chromosome segregation
GO:0007076 mitotic chromosome condensation
GO:0030261 chromosome condensation
GO:0051276 chromosome organization
GO:0051301 cell division
GO:0070058 tRNA gene clustering
GO:0070550 rDNA chromatin condensation
GO:1903342 negative regulation of meiotic DNA double-strand break formation
Cellular Component
GO:0000785 chromatin
GO:0000793 condensed chromosome
GO:0000796 condensin complex
GO:0005634 nucleus
GO:0005694 chromosome
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7qen, PDBe:7qen, PDBj:7qen
PDBsum7qen
PubMed35653469
UniProtP38989|SMC2_YEAST Structural maintenance of chromosomes protein 2 (Gene Name=SMC2)

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