Structure of PDB 2c2b Chain C Binding Site BS02

Receptor Information
>2c2b Chain C (length=443) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPFSAKYVPFNAAPGSTESYSLDEIVYRSRSGGLLDVEHDMEALKRFDGA
YWRDLFDSRVGKSTWPYGSGVWSKKEWVLPEIDDDDIVSAFEGNSNLFWA
ERFGKQFLGMNDLWVKHCGISHTGSFKDLGMTVLVSQVNRLRKMKRPVVG
VGCASTGDTSAALSAYCASAGIPSIVFLPANKISMAQLVQPIANGAFVLS
IDTDFDGCMKLIREITAELPIYLANSLNSLRLEGQKTAAIEILQQFDWQV
PDWVIVPGGNLGNIYAFYKGFKMCQELGLVDRIPRMVCAQAANANPLYLH
YKSGWKDFKPMTASTTFASAIQIGDPVSIDRAVYALKKCNGIVEEATEEE
LMDAMAQADSTGMFICPHTGVALTALFKLRNQGVIAPTDRTVVVSTAHGL
KFTQSKIDYHSNAIPDMACRFSNPPVDVKADFGAVMDVLKSYL
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain2c2b Chain C Residue 1163 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c2b Allosteric Threonine Synthase: Reorganization of the Pyridoxal Phosphate Site Upon Asymmetric Activation Through S-Adenosylmethionine Binding to a Novel Site.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F162 K163 D194 G294 G295 N296 L297 G298 N299 A356 H404 T432
Binding residue
(residue number reindexed from 1)		F126 K127 D158 G258 G259 N260 L261 G262 N263 A320 H368 T396
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.3.1: threonine synthase.
Gene Ontology
Molecular Function
GO:0004795 threonine synthase activity
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009088 threonine biosynthetic process
Cellular Component
GO:0005886 plasma membrane
GO:0009507 chloroplast
GO:0009570 chloroplast stroma

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2c2b, PDBe:2c2b, PDBj:2c2b
PDBsum2c2b
PubMed16319072
UniProtQ9S7B5|THRC1_ARATH Threonine synthase 1, chloroplastic (Gene Name=TS1)

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