Structure of PDB 2c2b Chain C Binding Site BS01

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 IDSAM
InChIInChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
ACDLabs 10.04[O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain2c2b Chain C Residue 500 [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)		S99 T100 W101 P102 G104 S105 F127
Binding residue
(residue number reindexed from 1)		S63 T64 W65 P66 G68 S69 F91
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

View graph for
Molecular Function
View graph for
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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