Structure of PDB 7ttr Chain A Binding Site BS02

Receptor Information
>7ttr Chain A (length=304) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKREAEERRRFPLEQRLKEHIIGQESAIATVGAAIRRKENGWYDEEHPLV
FLFLGSSGIGKTELAKQTAKYMHKDAKKGFIRLDMSEFQERHEVAKFIGS
PPGYVGHEEGGQLTKKLKQCPNAVVLFDEVDKAHPDVLTIMLQLFDEGRL
TDGKGKTIDCKDAIFIMTSNVASDEIAQHALQLRQEALENFKENVIRPIL
KAHFRRDEFLGRINEIVYFLPFCHSELIQLVNKELNFWAKRAKQRHNITL
LWDREVADVLVDGYNVHYGARSIKHEVERRVVNQLAAAYEQDLLPGGCTL
RITV
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 chain7ttr Chain A Residue 801 [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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PDB7ttr Unique structural features govern the activity of a human mitochondrial AAA+ disaggregase, Skd3.
Resolution2.96 Å
Binding residue
(original residue number in PDB)		I347 I348 S383 G384 I385 G386 T388 E389 F571 A619 R620
Binding residue
(residue number reindexed from 1)		I21 I22 S57 G58 I59 G60 T62 E63 F222 A270 R271
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.1.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:7ttr, PDBe:7ttr, PDBj:7ttr
PDBsum7ttr
PubMed36170828
UniProtQ9H078|CLPB_HUMAN Mitochondrial disaggregase (Gene Name=CLPB)

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