Structure of PDB 7mhb Chain B Binding Site BS01

Receptor Information
>7mhb Chain B (length=305) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFSPREIVSELDRFIIGQKDAKRAVAIALRNRWRRQQLEGQMREEVMPKN
ILMIGPTGVGKTEISRRLAKLAGAPFVKVEATKFTEVGYVGRDVEQIIRD
LVEIAITLVREKRREDQIVQEALRVSEDEGIVFIDEIDKIAARESGAGVS
REGVQRDLLPLVEGTTVATKYGPVKTDHILFITSGAFHVSKPSDLLPELQ
GRLPIRVELSALTREDFRRILTETEASLIKQYIALMETEEVKLEFSDDAI
DALADIAVDLNATVENIGARRLQTVIEKVLDEISFTAPDKAGATFIIDAA
YVKEG
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 chain7mhb Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mhb Crystal structure of ATP-dependent protease ATPase subunit HslU in complex with Adenosine 5'-diphosphate
Resolution2.6 Å
Binding residue
(original residue number in PDB)		I17 I18 G60 V61 G62 K63 T64 E65 I334 A383 R384
Binding residue
(residue number reindexed from 1)		I15 I16 G58 V59 G60 K61 T62 E63 I220 A269 R270
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008233 peptidase activity
GO:0016887 ATP hydrolysis activity
GO:0036402 proteasome-activating activity
Biological Process
GO:0043335 protein unfolding
GO:0051603 proteolysis involved in protein catabolic process
GO:1901800 positive regulation of proteasomal protein catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0009376 HslUV protease complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mhb, PDBe:7mhb, PDBj:7mhb
PDBsum7mhb
PubMed
UniProtQ2YQZ4|HSLU_BRUA2 ATP-dependent protease ATPase subunit HslU (Gene Name=hslU)

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