Structure of PDB 4myh Chain B Binding Site BS01

Receptor Information
>4myh Chain B (length=598) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIWPKGNNKVRIRVLIALGLLISAKILNVQVPFFFKQTIDSMNIAWDDPT
VALPAAIGLTILCYGVARFGSVLFGELRNAVFAKVAQNAIRTVSLQTFQH
LMKLDLGWHLSRQTGGLTRAMDRGTKGISQVLTAMVFHIIPISFEISVVC
GILTYQFGASFAAITFSTMLLYSIFTIKTTAWRTHFRRDANKADNKAASV
ALDSLINFEAVKYFNNEKYLADKYNGSLMNYRDSQIKVSQSLAFLNSGQN
LIFTTALTAMMYMGCTGVIGGNLTVGDLVLINQLVFQLSVPLNFLGSVYR
DLKQSLIDMETLFKLRKNEVKIKNAERPLMLPENVPYDITFENVTFGYHP
DRKILKNASFTIPAGWKTAIVGSSGSGKSTILKLVFRFYDPESGRILING
RDIKEYDIDALRKVIGVVPQDTPLFNDTIWENVKFGRIDATDEEVITVVE
KAQLAPLIKKLPQGFDTIVGERGLMISGGEKQRLAIARVLLKNARIMFFD
EATSALDTHTEQALLRTIRDNFTSGSRTSVYIAHRLRTIADADKIIVLDN
GRVREEGKHLELLAMPGSLYRELWTIQEDLDHLENELKDQQELWSHPQ
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain4myh Chain B Residue 701 [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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PDB4myh Crystal structures of nucleotide-free and glutathione-bound mitochondrial ABC transporter Atm1.
Resolution3.38 Å
Binding residue
(original residue number in PDB)		R280 R284 S394
Binding residue
(residue number reindexed from 1)		R183 R187 S297
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.64,Kd=23uM
Enzymatic activity
Enzyme Commision number 7.-.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4myh, PDBe:4myh, PDBj:4myh
PDBsum4myh
PubMed24604199
UniProtP40416|ATM1_YEAST Iron-sulfur clusters transporter ATM1, mitochondrial (Gene Name=ATM1)

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