Structure of PDB 3n29 Chain A Binding Site BS01

Receptor Information
>3n29 Chain A (length=371) Species: 407148 (Campylobacter jejuni subsp. jejuni 81116) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FYEKIQTPAYILEEDKLRKNCELLASVGEKSGAKVLLALKGFAFSGAMKI
VGEYLKGCTCSGLWEAKFAKEYMDKEIHTYSPAFKEDEIGEIASLSHHIV
FNSLAQFHKFQSKTQKNSLGLRCNVEFSGRYSRLGIRAKDFENVDLNAIE
GLHFHALCEESADALEAVLKVFEEKFGKWIGQMKWVNFGGGHHITKKGYD
VEKLIALCKNFSDKYGVQVYLEPGEAVGWQTGNLVASVVDIIENEKQIAI
LDTSSEAHMPDTIIMPYTSEVLNARILATRENEKISDLKENEFAYLLTGN
TCLAGDVMGEYAFDKKLKIGDKIVFLDQIHYTIVKNTTFNGIRLPNLMLL
DHKNELQMIREFSYKDYSLRN
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 chain3n29 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n29 Evolution of substrate specificity within a diverse family of beta/alpha-barrel-fold basic amino acid decarboxylases: X-ray structure determination of enzymes with specificity for L-arginine and carboxynorspermidine.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A39 K41 H166 G201 G202 E233 G235 E236 Y342
Binding residue
(residue number reindexed from 1)		A38 K40 H155 G190 G191 E222 G224 E225 Y331
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.96: carboxynorspermidine decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008836 diaminopimelate decarboxylase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
Biological Process
GO:0008295 spermidine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0045312 nor-spermidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3n29, PDBe:3n29, PDBj:3n29
PDBsum3n29
PubMed20534592
UniProtA8FNH9|NSPC_CAMJ8 Carboxynorspermidine/carboxyspermidine decarboxylase (Gene Name=nspC)

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