Structure of PDB 7n5b Chain A Binding Site BS01

Receptor Information
>7n5b Chain A (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)		Y488 R492 S514 G517 S519 T520
Binding residue
(residue number reindexed from 1)		Y352 R356 S378 G381 S383 T384
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

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Molecular Function
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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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