Structure of PDB 8ti0 Chain B Binding Site BS01

Receptor Information
>8ti0 Chain B (length=360) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YMITLEVPARDRSYAWLLSWLTRHSTRTQHLSVETSYLQHESGRISTKFE
FIPSPGNHFIWYQGKWIRVERNRPWESVTFTALGTDRKVFFNILEEARAL
ALQQEEGKTVMYTAVGSEWRTFGYPRRRRPLDSVVLQQGLADRIVKDIRE
FIDNPKWYIDRGIPYRRGYLLYGPPGCGKSSFITALAGELEHSICLLSLT
DSSLSDDRLNHLLSVAPQQSLVLLEDVDAAFLSRDLAVENPIKYQGLGRL
TFSGLLNALDGVASTEARIVFMTTNYIDRLDPALIRPGRVDLKEYVGYCS
HWQLTQMFQRFYPGQAPSLAENFAEHVLKATSEISPAQVQGYFMLYKNDP
MGAVHNIESL
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 chain8ti0 Chain B Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ti0 Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Resolution3.77 Å
Binding residue
(original residue number in PDB)		R186 V192 G233 C234 G235 K236 S237 S238 Q397
Binding residue
(residue number reindexed from 1)		R129 V135 G176 C177 G178 K179 S180 S181 Q340
Annotation score5
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:8ti0, PDBe:8ti0, PDBj:8ti0
PDBsum8ti0
PubMed38821922
UniProtQ9CZP5|BCS1_MOUSE Mitochondrial chaperone BCS1 (Gene Name=Bcs1l)

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