Structure of PDB 8t14 Chain E Binding Site BS01

Receptor Information
>8t14 Chain E (length=402) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPFSDFVLALKDNPYFGAGFGLVGVGTALAMARKGAQLGLVAFRRHYMIT
LEVPARDRSYAWLLSWLTRHSTRTQHLSVETSYLQHESGRISTKFEFIPS
PGNHFIWYQGKWIRVERNRDMQMVDLQTGTPWESVTFTALGTDRKVFFNI
LEEARALALQQEEGKTVMYTAVGSEWRTFGYPRRRRPLDSVVLQQGLADR
IVKDIREFIDNPKWYIDRGIPYRRGYLLYGPPGCGKSSFITALAGELEHS
ICLLSLTDSSLSDDRLNHLLSVAPQQSLVLLEDVDAAFLSRLTFSGLLNA
LDGVASTEARIVFMTTNYIDRLDPALIRPGRVDLKEYVGYCSHWQLTQMF
QRFYPGQAPSLAENFAEHVLKATSEISPAQVQGYFMLYKNDPMGAVHNIE
SL
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 chain8t14 Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8t14 Conformations of Bcs1L undergoing ATP hydrolysis suggest a concerted translocation mechanism for folded iron-sulfur protein substrate.
Resolution3.18 Å
Binding residue
(original residue number in PDB)		R186 V191 V192 G233 C234 G235 K236 S237 P393
Binding residue
(residue number reindexed from 1)		R186 V191 V192 G233 C234 G235 K236 S237 P378
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:8t14, PDBe:8t14, PDBj:8t14
PDBsum8t14
PubMed38821922
UniProtQ9CZP5|BCS1_MOUSE Mitochondrial chaperone BCS1 (Gene Name=Bcs1l)

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