Structure of PDB 7n59 Chain A Binding Site BS01

Receptor Information
>7n59 Chain A (length=590) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMADMKILRTLAGYLWMRDNPEFRFRVIAALGFLVGAKVLNVQVPFLFKL
AVDWLASATATNPTLLTVFATPAAVLIGYGIARTGSSAFNELRTAVFSKV
ALRTIRSVSRKVFSHLHDLDLRYHLSRETGGLNRIIDRGSRAINFILSAM
VFNVVPTILEISMVSGILAYKFGAAFAWITSLSVGSYIVFTLAVTQWRTK
FRKAMNKADNDASTRAIDSLINYETVKYFNNEGYEAEKYDQFLKKYEDAA
LQTQRSLAFLNFGQSIIFSTALSTAMVLCSQGIMNGQMTVGDLVMVNGLL
FQLSLPLNFLGSVYRETIQSLVDMKSMFQLLEEKSDITNTSDAKPLVLKG
GNIEFENVHFSYLPERKILDGISFVVPAGKSVAIVGTSGSGKSTILRMLF
RFFDTDSGNIRIDGQDIKEVRLDSLRSSIGVVPQDTVLFNDTIFHNIHYG
RLSATEEEVYEAARRAAIHETISNFPDKYSTIVGERGLKLSGGEKQRVAL
ARTFLKSPAILLCDEATSALDSTTEAEILNALKALASNRTSIFIAHRLTT
AMQCDEIVVLENGKVVEQGPHDELLGKSGRYAQLWTQQNS
Ligand information
Ligand IDGDS
InChIInChI=1S/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
InChIKeyYPZRWBKMTBYPTK-BJDJZHNGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CCC(=O)N[CH](CSSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(=O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O)N
ACDLabs 10.04O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N
FormulaC20 H32 N6 O12 S2
NameOXIDIZED GLUTATHIONE DISULFIDE
ChEMBLCHEMBL1372
DrugBankDB03310
ZINCZINC000003870129
PDB chain7n59 Chain A Residue 801 [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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PDB7n59 Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters.
Resolution3.6 Å
Binding residue
(original residue number in PDB)		R328 L383 Q390 N434
Binding residue
(residue number reindexed from 1)		R202 L257 Q264 N308
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006777 Mo-molybdopterin cofactor biosynthetic process
GO:0006826 iron ion transport
GO:0006879 intracellular iron ion homeostasis
GO:0009555 pollen development
GO:0009658 chloroplast organization
GO:0010288 response to lead ion
GO:0010380 regulation of chlorophyll biosynthetic process
GO:0046686 response to cadmium ion
GO:0048364 root development
GO:0050790 regulation of catalytic activity
GO:0051276 chromosome organization
GO:0055085 transmembrane transport
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0009507 chloroplast
GO:0009536 plastid
GO:0009941 chloroplast envelope
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7n59, PDBe:7n59, PDBj:7n59
PDBsum7n59
PubMed35333177
UniProtQ9LVM1|AB25B_ARATH ABC transporter B family member 25, mitochondrial (Gene Name=ABCB25)

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