Structure of PDB 2rd5 Chain D Binding Site BS01

Receptor Information
>2rd5 Chain D (length=126) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DYIPDSKFYKVEAIVRPWRIQQVSSALLKIGIRGVTVSDVRGFGAQGGST
ERHGGSEFSEDKFVAKVKMEIVVKKDQVESVINTIIEGARTGEIGDGKIF
VLPVSDVIRVRTGERGEKAEKMTGDM
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 chain2rd5 Chain D Residue 1000 [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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PDB2rd5 Structural Basis for the Regulation of N-Acetylglutamate Kinase by PII in Arabidopsis thaliana.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		G46 F47 G48 Q50 G99 G101 K102 F104
Binding residue
(residue number reindexed from 1)		G42 F43 G44 Q46 G95 G97 K98 F100
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030234 enzyme regulator activity
Biological Process
GO:0006808 regulation of nitrogen utilization

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Molecular Function
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Biological Process
External links
PDB RCSB:2rd5, PDBe:2rd5, PDBj:2rd5
PDBsum2rd5
PubMed17913711
UniProtQ9ZST4|GLNB_ARATH Nitrogen regulatory protein P-II homolog (Gene Name=GLB1)

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