Structure of PDB 1ofi Chain C Binding Site BS01

Receptor Information
>1ofi Chain C (length=296) Species: 71421 (Haemophilus influenzae Rd KW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEMTPREIVSELDQHIIGQADAKRAVAIALRNRWRRMQLQEPLRHEVTPK
NILMIGPTGVGKTEIARRLAKLANAPFIKVEATKFTEVDSIIRDLTDSAG
GAIDAVEQNGIVFIDEIDKICKADVSREGVQRDLLPLVEGSTVSTKHGMV
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 chain1ofi Chain C Residue 450 [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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PDB1ofi Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome
Resolution3.2 Å
Binding residue
(original residue number in PDB)		I17 I18 G60 V61 G62 K63 T64 E65 I344 A393
Binding residue
(residue number reindexed from 1)		I16 I17 G59 V60 G61 K62 T63 E64 I196 A245
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008233 peptidase activity
GO:0016887 ATP hydrolysis activity
Cellular Component
GO:0009376 HslUV protease complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1ofi, PDBe:1ofi, PDBj:1ofi
PDBsum1ofi
PubMed12823960
UniProtP43773|HSLU_HAEIN ATP-dependent protease ATPase subunit HslU (Gene Name=hslU)

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