Structure of PDB 6uks Chain C Binding Site BS02

Receptor Information
>6uks Chain C (length=362) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITLEVPARDRSYAWLLSWLTRHSTRTQHLSVETSYLQHESGRISTKFEFI
PSPGNHFIWYQGKWIRVERNRDMQMVDLQTGTPWESVTFTALGTDRKVFF
NILEEARALALQQEEGKTVMYTAVGSEWRTFGYPRRRRPLDSVVLQQGLA
DRIVKDIREFIDNPKWYIDRGIPYRRGYLLYGPPGCGKSSFITALAGELE
HSICLLSLTDSSLSDDRLNHLLSVAPQQSLVLLEDVDAAFLIKYQGLGRL
TFSGLLNALDGVASTEARIVFMTTNYIDRLDPALIRPGRVDLKEYVGYCS
HWQLTQMFQRFYPGQAPSLAENFAEHVLKATSEISPAQVQGYFMLYKNDP
MGAVHNIESLRP
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain6uks Chain D Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uks Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		V192 G233 C234 G235 K236 P393 Q397
Binding residue
(residue number reindexed from 1)		V144 G185 C186 G187 K188 P336 Q340
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008566 mitochondrial protein-transporting ATPase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0007005 mitochondrion organization
GO:0032981 mitochondrial respiratory chain complex I assembly
GO:0033617 mitochondrial cytochrome c oxidase assembly
GO:0034551 mitochondrial respiratory chain complex III assembly
GO:0071806 protein transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6uks, PDBe:6uks, PDBj:6uks
PDBsum6uks
PubMed32042153
UniProtQ9CZP5|BCS1_MOUSE Mitochondrial chaperone BCS1 (Gene Name=Bcs1l)

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