Structure of PDB 4c9h Chain B Binding Site BS01

Receptor Information
>4c9h Chain B (length=269) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIDFLMGGVSAAVAKTAASPIERVKLLIQNQDEMLKQGTLDRKYAGILDC
FKRTATQEGVISFWRGNTANVIRYFPTQALNFAFKDKIKAMFGFKKEEGY
AKWFAGNLASGGAAGALSLLFVYSLDYARTRLAADSKGARQFNGLIDVYK
KTLKSDGVAGLYRGFLPSVVGIVVYRGLYFGMYDSLKLASFLLGWVVTTG
ASTCSYPLDTVRRRMMMTSGQAVKYDGAFDCLRKIVAAEGVGSLFKGCGA
NILRGVAGAGVISMYDQLQ
Ligand information
Ligand IDCM5
InChIInChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1
InChIKeyRVTGFZGNOSKUDA-ZNGNCRBCSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
OpenEye OEToolkits 1.5.0C1CCC(CC1)CCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](OCCCCCC3CCCCC3)O[CH]2CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCC3CCCCC3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C1CCC(CC1)CCCCCOC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O
FormulaC23 H42 O11
Name5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE;
5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE;
CYMAL-5
ChEMBL
DrugBankDB04664
ZINCZINC000014881288
PDB chain4c9h Chain A Residue 1319 [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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PDB4c9h Structures of Yeast Mitochondrial Adp/ATP Carriers Support a Domain-Based Alternating-Access Transport Mechanism
Resolution3.2 Å
Binding residue
(original residue number in PDB)		L71 F74
Binding residue
(residue number reindexed from 1)		L48 F51
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005471 ATP:ADP antiporter activity
GO:0015297 antiporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
Biological Process
GO:0006839 mitochondrial transport
GO:0006915 apoptotic process
GO:0009060 aerobic respiration
GO:0009061 anaerobic respiration
GO:0015866 ADP transport
GO:0015867 ATP transport
GO:0015886 heme transport
GO:0055085 transmembrane transport
GO:0071705 nitrogen compound transport
GO:0140021 mitochondrial ADP transmembrane transport
GO:1990544 mitochondrial ATP transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005778 peroxisomal membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4c9h, PDBe:4c9h, PDBj:4c9h
PDBsum4c9h
PubMed24474793
UniProtP18239|ADT2_YEAST ADP,ATP carrier protein 2 (Gene Name=PET9)

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