Structure of PDB 2bej Chain A Binding Site BS01

Receptor Information
>2bej Chain A (length=245) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVRRIALANQKGGVGKTTTAINLAAYLARLGKRVLLVDLDPQGNATSGLG
VRAERGVYHLLQGEPLEGLVHPVDGFHLLPATPDLVGATVELAGAPTALR
EALRDEGYDLVLLDAPPSLSPLTLNALAAAEGVVVPVQAEYYALEGVAGL
LATLEEVRAGLNPRLRLLGILVTMYDGRTLLAQQVEAQLRAHFGEKVFWT
VIPRNVRLAEAPSFGKTIAQHAPTSPGAHAYRRLAEEVMARVQEA
Ligand information
Ligand IDADP
InChIInChI=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
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(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 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2bej Chain A Residue 500 [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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PDB2bej Bacterial Chromosome Segregation: Structure and DNA Binding of the Soj Dimer--A Conserved Biological Switch
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G16 G17 V18 G19 K20 T21 T22 M178 P207 R208 N209 L212 A213
Binding residue
(residue number reindexed from 1)		G12 G13 V14 G15 K16 T17 T18 M174 P203 R204 N205 L208 A209
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0007059 chromosome segregation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2bej, PDBe:2bej, PDBj:2bej
PDBsum2bej
PubMed15635448
UniProtQ72H90|SOJ_THET2 Chromosome-partitioning ATPase Soj (Gene Name=soj)

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