Structure of PDB 1ibj Chain C Binding Site BS01

Receptor Information
>1ibj Chain C (length=380) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASVSTLLVNLDNKFDPFDAMSTPLYQTATFKQPSAIENGPYDYTRSGNPT
RDALESLLAKLDKADRAFCFTSGMAALSAVTHLIKNGEEIVAGDDVYGGS
DRLLSQVVPRSGVVVKRVNTTKLDEVAAAIGPQTKLVWLESPTNPRQQIS
DIRKISEMAHAQGALVLVDNSIMSPVLSRPLELGADIVMHSATKFIAGHS
DVMAGVLAVKGEKLAKEVYFLQNSEGSGLAPFDCWLCLRGIKTMALRIEK
QQENARKIAMYLSSHPRVKKVYYAGLPDHPGHHLHFSQAKGAGSVFSFIT
GSVALSKHLVETTKYFSIAVSFGSVKSLISMPCFMSHASIPAEVREARGL
TEDLVRISAGIEDVDDLISDLDIAFKTFPL
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 chain1ibj Chain A Residue 1400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ibj The three-dimensional structure of cystathionine beta-lyase from Arabidopsis and its substrate specificity
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y127 R129
Binding residue
(residue number reindexed from 1)		Y43 R45
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.13: cysteine-S-conjugate beta-lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
GO:0047804 cysteine-S-conjugate beta-lyase activity
GO:0060090 molecular adaptor activity
Biological Process
GO:0006555 methionine metabolic process
GO:0009086 methionine biosynthetic process
GO:0019279 L-methionine biosynthetic process from L-homoserine via cystathionine
GO:0019346 transsulfuration
GO:0071266 'de novo' L-methionine biosynthetic process
Cellular Component
GO:0009507 chloroplast
GO:0009570 chloroplast stroma

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1ibj, PDBe:1ibj, PDBj:1ibj
PDBsum1ibj
PubMed11402193
UniProtP53780|METC_ARATH Cystathionine beta-lyase, chloroplastic (Gene Name=At3g57050)

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