Structure of PDB 8wm7 Chain D Binding Site BS01

Receptor Information
>8wm7 Chain D (length=257) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDNFLVVEGVSKIYPTPEGPYTVLDGIDLKVREGEFVCLIGHSGCGKSTL
LNMISGFNTPSEGVVLLQDKPITEPGPDRMMVFQNYCLLPWLNVFENVYL
AVDAVFPNKPQAEKRAIVREHLAMVGLTEAAEKKPSQISGGMKQRVAIAR
ALSIRPQVLILDEPFGALDAITKEELQEELLQIWSDHQVTVLMITHDIDE
ALFLADRVVMMTNGPAAQIGEILDIPFDRPRNRRRIMEDPKYYDLRNYAL
DFLFNRF
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 chain8wm7 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8wm7 Allosteric regulation of nitrate transporter NRT via the signalling protein PII
Resolution3.53 Å
Binding residue
(original residue number in PDB)		Y30 Y37 V39 S59 G60 C61 G62 K63 S64 T65
Binding residue
(residue number reindexed from 1)		Y14 Y21 V23 S43 G44 C45 G46 K47 S48 T49
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0015112 nitrate transmembrane transporter activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0015706 nitrate transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8wm7, PDBe:8wm7, PDBj:8wm7
PDBsum8wm7
PubMed38457518
UniProtQ8YZ75

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