Structure of PDB 2jis Chain A Binding Site BS01

Receptor Information
>2jis Chain A (length=478) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPSLAGDPVAVEALLRAVFGVVVDEAIQKGTSVSQKVCEWKEPEELKQLL
DLELRSQGESQKQILERCRAVIRYSVKTGHPRFFNQLFSGLDPHALAGRI
ITESLNTSQYTYEIAPVFVLMEEEVLRKLRALVGWSSGDGIFCPGGSISN
MYAVNLARYQRYPDCKQRGLRTLPPLALFTSKECHYSIQKGAAFLGLGTD
SVRVVKADERGKMVPEDLERQIGMAEAEGAVPFLVSATSGTTVLGAFDPL
EAIADVCQRHGLWLHVDAAWGGSVLLSQTHRHLLDGIQRADSVAWNPHKL
LAAGLQCSALLLQDTSNLLKRCHGSKFYDVALDTGDKVVQCGRRVDCLKL
WLMWKAQGDQGLERRIDQAFVLARYLVEEMKKREGFELVMEPEFVNVCFW
FVPPSLRGKQESPDYHERLSKVAPVLKERMVKEGSMMIGYQPHGTRGNFF
RVVVANSALTCADMDFLLNELERLGQDL
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 chain2jis Chain A Residue 1494 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2jis The Crystal Structure of Human Cysteine Sulfinic Acid Decarboxylase (Csad)
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G151 G152 S153 H191 T248 D273 A275 N302 K305
Binding residue
(residue number reindexed from 1)		G145 G146 S147 H185 T242 D267 A269 N296 K299
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.11: aspartate 1-decarboxylase.
4.1.1.29: sulfinoalanine decarboxylase.
Gene Ontology
Molecular Function
GO:0004068 aspartate 1-decarboxylase activity
GO:0004782 sulfinoalanine decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0019449 L-cysteine catabolic process to hypotaurine
GO:0019452 L-cysteine catabolic process to taurine
GO:0019752 carboxylic acid metabolic process
GO:0042412 taurine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2jis, PDBe:2jis, PDBj:2jis
PDBsum2jis
PubMed
UniProtQ9Y600|CSAD_HUMAN Cysteine sulfinic acid decarboxylase (Gene Name=CSAD)

[Back to BioLiP]