Structure of PDB 6sh3 Chain B Binding Site BS01

Receptor Information
>6sh3 Chain B (length=376) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPYFAAGGGLMILGTGLAVARSGIIKASRVLYRQMIVDLEIQSKDKSYAW
FLTWMAKHPQRVSRHLSVRTNYIQHDNGSVSTKFSLVPGPGNHWIRYKGA
FILIKRERSAKMIDIANGSPFETVTLTTLYRDKHLFDDILNEAKDIALKT
TEGKTVIYTSFGPEWRKFGQPKAKRMLPSVILDSGIKEGILDDVYDFMKN
GKWYSDRGIPYRRGYLLYGPPGSGKTSFIQALAGELDYNICILNLTDDRL
NHLMNNMPERSILLLEDIDAATFSGLLNALDGVTSSEETITFMTTNHPEA
IMRPGRIDYKVFVGNATPYQVEKMFMKFYPGETDICKKFVNSVKELDITV
STAQLQGLFVMNKDAPHDALKMVSSL
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 chain6sh3 Chain B Residue 501 [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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PDB6sh3 Structure of the Bcs1 AAA-ATPase suggests an airlock-like translocation mechanism for folded proteins.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		R223 S227 V228 I229 G270 G272 K273 T274 S275 T425 A426
Binding residue
(residue number reindexed from 1)		R175 S179 V180 I181 G222 G224 K225 T226 S227 T352 A353
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008320 protein transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
GO:0042626 ATPase-coupled transmembrane transporter activity
Biological Process
GO:0032979 protein insertion into mitochondrial inner membrane from matrix
GO:0034551 mitochondrial respiratory chain complex III assembly
GO:0051131 chaperone-mediated protein complex assembly
GO:0055085 transmembrane transport
GO:0071806 protein transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005758 mitochondrial intermembrane space
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6sh3, PDBe:6sh3, PDBj:6sh3
PDBsum6sh3
PubMed31988523
UniProtP32839|BCS1_YEAST Mitochondrial chaperone BCS1 (Gene Name=BCS1)

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