Structure of PDB 8w9m Chain C Binding Site BS01

Receptor Information
>8w9m Chain C (length=256) 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]
TFVEIDHVDRIFDLPNGGRYIALKNIELKIKQGEFVSLIGHSGCGKSTLL
NIIAGLDRASIGGVTLEGREIREPSPDRMVVFQNYSLLPWLTVRENVALA
VDEVYQGKSKGERRAIIEEHIDMVGLRLAANKRPSELSGGMKQRVAIARA
LATRPKLLLLDQPFGALDALTRGSLQEQLMKICNEHQITCVMVTHDVDEA
LLLSDRVVMLTNGPEAHIGQILEVPISRPRQRLEVVKHPSYYNLRNEIIY
FLNQQK
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 chain8w9m Chain C Residue 701 [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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PDB8w9m Allosteric regulation of nitrate transporter NRT via the signalling protein PII
Resolution3.1 Å
Binding residue
(original residue number in PDB)		F14 Y22 S44 G45 G47 K48 S49 T50 Q85 H197
Binding residue
(residue number reindexed from 1)		F12 Y20 S42 G43 G45 K46 S47 T48 Q83 H195
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:0006811 monoatomic ion transport
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:8w9m, PDBe:8w9m, PDBj:8w9m
PDBsum8w9m
PubMed38457518
UniProtQ8YZ76

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