Structure of PDB 1ibj Chain C Binding Site BS02

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 IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain1ibj Chain C Residue 2401 [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)		S405 F406 R440
Binding residue
(residue number reindexed from 1)		S321 F322 R356
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

View graph for
Molecular Function
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Biological Process
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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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