Structure of PDB 2rd5 Chain B Binding Site BS02

Receptor Information
>2rd5 Chain B (length=283) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPDYRVEILSESLPFIQKFRGKTIVVKYGGAAMTSPELKSSVVSDLVLLA
CVGLRPILVHGGGPDINRYLKQLNIPAEFRDGLRVTDATTMEIVSMVLVG
KVNKNLVSLINAAGATAVGLSGHDGRLLTARPVPNSAQLGFVGEVARVDP
SVLRPLVDYGYIPVIASVAADDSGQAYNINADTVAGELAAALGAEKLILL
TDVAGILENKEDPSSLIKEIDIKGVKKMIEDGKVAGGMIPKVKCCIRSLA
QGVKTASIIDGRRQHSLLHEIMSDEGAGTMITG
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 chain2rd5 Chain B Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		A45 T215 D216 L221 K224 A249 G251 M252 K255
Binding residue
(residue number reindexed from 1)		A31 T201 D202 L207 K210 A235 G237 M238 K241
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) K41 G44 G77 D196 K255
Catalytic site (residue number reindexed from 1) K27 G30 G63 D182 K241
Enzyme Commision number 2.7.2.8: acetylglutamate kinase.
Gene Ontology
Molecular Function
GO:0003991 acetylglutamate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2rd5, PDBe:2rd5, PDBj:2rd5
PDBsum2rd5
PubMed17913711
UniProtQ9SCL7|NAGK_ARATH Acetylglutamate kinase, chloroplastic (Gene Name=NAGK)

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