Structure of PDB 7xa9 Chain A Binding Site BS04

Receptor Information
>7xa9 Chain A (length=702) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HIESLDYEINENDLFKHDWRSRSKAQVFQYIFLKWTLACLVGLFTGLIAT
LINLAVENIAGYKLLAVGYYIAQDRFWTGLMVFTGANLGLTLVATVLVVY
FAPTAAGPGIPEIKAYLNGIDTPNMFGFTTMMVKIVGSIGAVAAGLDLGK
EGPLVHIGSCIASLLGQGGPDNHRIKWRWLRYFNNDRDRRDLITCGSASG
VCAAFRSPVGGVLFALEEVATWWRSALLWRTFFSTAVVVVVLRAFIEICN
SGKCGLFGSGGLIMFDVSHVEVRYHAADIIPVTLIGVFGGILGSLYNHLL
HKVLRLYNLINQKGKIHKVLLSLGVSLFTSVCLFGLPFLAECKPCDPSID
EICPTNGRSGNFKQFNCPNGYYNDLSTLLLTTNDDAVRNIFSSNTPNEFG
MVSLWIFFGLYCILGLITFGIATPSGLFLPIILMGSAYGRMLGTAMGSYT
NIDQGLYAVLGAASLMAGSMRMTVSLCVIFLELTNNLLLLPITMFVLLIA
KTVGDSFNLSIYEIILHLKGLPFLEANPEPWMRNLTVGELNDAKPPVVTL
NGVEKVANIVDVLRNTTHNAFPVLDTELHGLILRAHLVKVLKKRWFLNEK
RRTEEWEVREKFTPVELAEREDNFDDVAITSSEMQLYVDLHPLTNTTPYT
VVQSMSVAKALVLFRSVGLRHLLVVPKSPVIGILTRQDLRAYNILQAFPH
LD
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7xa9 Chain A Residue 904 [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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PDB7xa9 Cryo-EM structure of the plant nitrate transporter AtCLCa reveals characteristics of the anion-binding site and the ATP-binding pocket.
Resolution2.84 Å
Binding residue
(original residue number in PDB)		H53 E55 S56 K596 V600 H620 N621 A622 F623 R729 H730 I748 T750 D753
Binding residue
(residue number reindexed from 1)		H1 E3 S4 K544 V548 H568 N569 A570 F571 R670 H671 I683 T685 D688
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005247 voltage-gated chloride channel activity
GO:0005254 chloride channel activity
GO:0005515 protein binding
GO:0015112 nitrate transmembrane transporter activity
Biological Process
GO:0006821 chloride transport
GO:0010167 response to nitrate
GO:0015706 nitrate transmembrane transport
GO:0034220 monoatomic ion transmembrane transport
GO:0055085 transmembrane transport
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0016020 membrane
GO:0034707 chloride channel complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7xa9, PDBe:7xa9, PDBj:7xa9
PDBsum7xa9
PubMed36581207
UniProtP92941|CLCA_ARATH Chloride channel protein CLC-a (Gene Name=CLC-A)

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