Structure of PDB 4aec Chain B Binding Site BS01

Receptor Information
>4aec Chain B (length=319) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLNIADNVSQLIGKTPMVYLNSIAKGCVANIAAKLEIMEPCCSVKDRIGY
SMVTDAEQKGFISPGKSVLVEPTSGNTGIGLAFIAASRGYRLILTMPASM
SMERRVLLKAFGAELVLTDPAKGMTGAVQKAEEILKNTPDAYMLQQFDNP
ANPKIHYETTGPEIWDDTKGKVDIFVAGIGTGGTITGVGRFIKEKNPKTQ
VIGVEPTESDILSGGKPGPHKIQGIGAGFIPKNLDQKIMDEVIAISSEEA
IETAKQLALKEGLMVGISSGAAAAAAIKVAKRPENAGKLIAVVFPSFGER
YLSTPLFQSIREEVEKMQP
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 chain4aec Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4aec Allosterically Gated Enzyme Dynamics in the Cysteine Synthase Complex Regulate Cysteine Biosynthesis in Arabidopsis Thaliana.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K154 N185 I288 G289 T290 G291 T293 G333 S377 P404 S405
Binding residue
(residue number reindexed from 1)		K45 N76 I179 G180 T181 G182 T184 G224 S268 P295 S296
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K154 S377
Catalytic site (residue number reindexed from 1) K45 S268
Enzyme Commision number 2.5.1.47: cysteine synthase.
Gene Ontology
Molecular Function
GO:0004124 cysteine synthase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0042802 identical protein binding
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0009567 double fertilization forming a zygote and endosperm
GO:0009860 pollen tube growth
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4aec, PDBe:4aec, PDBj:4aec
PDBsum4aec
PubMed22325778
UniProtQ43725|CYSKM_ARATH Cysteine synthase, mitochondrial (Gene Name=OASC)

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