Structure of PDB 7n5b Chain B Binding Site BS01

Receptor Information
>7n5b Chain B (length=580) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMADMKILRTLAGYLWMRDNPEFRFRVIAALGFLVGAKVLNVQVPFLFKL
AVDWLASAFATPAAVLIGYGIARTGSSAFNELRTAVFSKVALRTIRSVSR
KVFSHLHDLDLRYHLSRETGGLNRIIDRGSRAINFILSAMVFNVVPTILE
ISMVSGILAYKFGAAFAWITSLSVGSYIVFTLAVTQWRTKFRKAMNKADN
DASTRAIDSLINYETVKYFNNEGYEAEKYDQFLKKYEDAALQTQRSLAFL
NFGQSIIFSTALSTAMVLCSQGIMNGQMTVGDLVMVNGLLFQLSLPLNFL
GSVYRETIQSLVDMKSMFQLLEEKSDITNTSDAKPLVLKGGNIEFENVHF
SYLPERKILDGISFVVPAGKSVAIVGTSGSGKSTILRMLFRFFDTDSGNI
RIDGQDIKEVRLDSLRSSIGVVPQDTVLFNDTIFHNIHYGRLSATEEEVY
EAARRAAIHETISNFPDKYSTIVGERGLKLSGGEKQRVALARTFLKSPAI
LLCDEATSALDSTTEAEILNALKALASNRTSIFIAHRLTTAMQCDEIVVL
ENGKVVEQGPHDELLGKSGRYAQLWTQQNS
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 chain7n5b 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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PDB7n5b Glutathione binding to the plant At Atm3 transporter and implications for the conformational coupling of ABC transporters.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		F601 K615 S617 E620
Binding residue
(residue number reindexed from 1)		F465 K479 S481 E484
Annotation score5
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:7n5b, PDBe:7n5b, PDBj:7n5b
PDBsum7n5b
PubMed35333177
UniProtQ9LVM1|AB25B_ARATH ABC transporter B family member 25, mitochondrial (Gene Name=ABCB25)

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