Structure of PDB 6az0 Chain A Binding Site BS01

Receptor Information
>6az0 Chain A (length=439) Species: 285006 (Saccharomyces cerevisiae RM11-1a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFDDVCGCDEARAELEEIVDFLKDPTKYESLGGKLPKGVLLTGPPGTGKT
LLARATAGEAGVDFFFMSGSEFDEVYVGVGAKRIRDLFAQARSRAPAIIF
IDQLDAIGGKRNPKDQAYAKQTLNQLLVELDGFSQTSGIIIIGATNFPEA
LDKALTRPGRFDKVVNVDLPDVRGRADILKHHMKKITLADNVDPTIIARG
TPGLSGAELANLVNQAAVYACQKNAVSVDMSHFEWAKDKILMGAERKTMV
LTDAARKATAFHEAGHAIMAKYTNGATPLYKATILPRGRALGITFQLPEM
DKVDITKRECQARLDVCMGGKIAEELIYGKDNTTSGCGSDLQSATGTARA
MVTQYGMSDDVGPVNLSEEWESWSNKIRDIADNEVIELLKDSEERARRLL
TKKNVELHRLAQGLIEYETLDAHEIEQVCKGEKLAKLKT
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6az0 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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PDB6az0 Structure of the mitochondrial inner membrane AAA+ protease YME1 gives insight into substrate processing.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		C284 G324 T325 G326 K327 T328 L329 H460 G484 A485
Binding residue
(residue number reindexed from 1)		C6 G46 T47 G48 K49 T50 L51 H182 G206 A207
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004222 metalloendopeptidase activity
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6az0, PDBe:6az0, PDBj:6az0
PDBsum6az0
PubMed29097521
UniProtB3LL85

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