Structure of PDB 1im2 Chain A Binding Site BS01

Receptor Information
>1im2 Chain A (length=346) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEMTPREIVSELDQHIIGQADAKRAVAIALRNRWRRMQLQEPLRHEVTPK
NILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEVGYVGKEVDSIIR
DLTDSAMKLVRQQEIAKNRARAEDVAEERLIDDEAAKLINPEELKQKAID
AVEQNGIVFIDEIDKICKEYSGADVSREGVQRDLLPLVEGSTVSTKHGMV
KTDHILFIASGAFQVARPSDLIPELQGRLPIRVELTALSAADFERILTEP
HASLTEQYKALMATEGVNIAFTTDAVKKIAEAAFRVNEKTENIGARRLHT
VMERLMDKISFSASDMNGQTVNIDAAYVADALGEVVENEDLSRFIL
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 chain1im2 Chain A Residue 450 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1im2 Structure of Haemophilus influenzae HslU protein in crystals with one-dimensional disorder twinning.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		I17 I18 G60 V61 G62 K63 T64 E65 I344 A393 R394
Binding residue
(residue number reindexed from 1)		I16 I17 G59 V60 G61 K62 T63 E64 I246 A295 R296
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
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:1im2, PDBe:1im2, PDBj:1im2
PDBsum1im2
PubMed11468391
UniProtP43773|HSLU_HAEIN ATP-dependent protease ATPase subunit HslU (Gene Name=hslU)

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