Structure of PDB 3wgb Chain D Binding Site BS02

Receptor Information
>3wgb Chain D (length=324) Species: 650 (Aeromonas jandaei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YIDLRSDTVTQPTDAMRQCMLHAEVGDDVYGEDPGVNALEAYGADLLGKE
AALFVPSGTMSNLLAVMSHCQRGEGAVLGSAAHIYRYEAQGSAVLGSVAL
QPVPMDGSLALADVRAAIAPDDVHFTPTRLVCLENTHNGKVLPLPYLREM
RELVDEHGLQLHLDGARLFNAVVASGHTVRELVAPFDSVSICLSKGLGAP
VGSLLVGSHAFIARARRLRKMVGGGMRQAGILAQAGLFALQQHVVRLADD
HRRARQLAEGLALPGIRLDLAQVQTNMVFLQLTSAPLLAFMKARGILFSE
LRLVTHLQIHDDDIEVIDAFTEYL
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain3wgb Chain D Residue 402 [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]
PDB3wgb L-allo-Threonine aldolase with an H128Y/S292R mutation from Aeromonas jandaei DK-39 reveals the structural basis of changes in substrate stereoselectivity.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A170 R171 C196 L197 K199 G200 L201
Binding residue
(residue number reindexed from 1)		A166 R167 C192 L193 K195 G196 L197
Annotation score5
Enzymatic activity
Enzyme Commision number 4.1.2.49: L-allo-threonine aldolase.
Gene Ontology
Molecular Function
GO:0008732 L-allo-threonine aldolase activity
GO:0016829 lyase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006545 glycine biosynthetic process
GO:0006567 threonine catabolic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3wgb, PDBe:3wgb, PDBj:3wgb
PDBsum3wgb
PubMed24914980
UniProtO07051|LTAA_AERJA L-allo-threonine aldolase (Gene Name=ltaA)

[Back to BioLiP]