Structure of PDB 3euk Chain H Binding Site BS02

Receptor Information
>3euk Chain H (length=459) Species: 233412 ([Haemophilus] ducreyi 35000HP) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIARGKFRSLTLINWNGFFARTFDFDELVTTLSGGNGAGKSTTMAGFVTA
LIPDLTLLNFRNTTEAGSTSSSRDKGLYGKLKAGVCYAVLETVNSRAQRI
ITGVRLQQIAGRDKKVDIRPFSLQNVPMTDSVISLFTEQVANKARVLSLN
DLKEKFEETAVTFKPYHSITDYHSFMFDLGILPKRLRSSSDRNKFYKLIE
ASLYGGISSVITKSLRDYLLPENSGVRQAFQDMEAGSISAESVANILRKT
IQREQNRILQLNQGLQNIAFGQVKGVRLVVNIRDTHSILLNALSDQHEQH
QKLSFSEALAMLYKRINPHMPQTIGEELLDYRNYLDLEVETLRGAYGWMR
AESSALSTGEAIGTGMSILLMVVQSWEEESRRMRAKDILPCRLLFLDQAA
RLDAMSINTLFELCERLDMQLLIAAPENISPERGTTYKLVRKILANQEYV
HVVGLKGFG
Ligand information
Ligand IDAGS
InChIInChI=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
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(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 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(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 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain3euk Chain H Residue 2004 [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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PDB3euk Structural studies of a bacterial condensin complex reveal ATP-dependent disruption of intersubunit interactions.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		N67 G68 G70 K71 S72 T73 G110 K111 R1478
Binding residue
(residue number reindexed from 1)		N36 G37 G39 K40 S41 T42 G79 K80 R441
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
Biological Process
GO:0007059 chromosome segregation
GO:0030261 chromosome condensation
Cellular Component
GO:0009295 nucleoid

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3euk, PDBe:3euk, PDBj:3euk
PDBsum3euk
PubMed19135891
UniProtQ7VL96|MUKB_HAEDU Chromosome partition protein MukB (Gene Name=mukB)

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