Structure of PDB 4itu Chain A

Receptor sequence
>4ituA (length=253) Species: 78245 (Xanthobacter autotrophicus Py2) [Search protein sequence]
NRLKNEVIAITGGGAGIGLAIASAALREGAKVALIDLDQGLAERSAAMLS
TGGAVAKGFGADVTKAADITAAITSAEQTIGSLTGLVNNAGIAGFGSVHD
ADAAAWDRIMAVNVTGTFLASKAALAGMLERHKGTIVNFGSVAGLVGIPT
MAAYCAAKGAIVNLTRQMAADYSGRGVRVNAVCPGTVTSTGMGQQLLGSD
TSPEVQARRLAKYPIGRFGTPEDIAEAVIFLLSDQAAFVTGAAFAVDGGM
TAI
3D structure
PDB4itu Crystal structures of S-HPCDH reveal determinants of stereospecificity for R- and S-hydroxypropyl-coenzyme M dehydrogenases.
ChainA
Resolution1.6 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) G18 N115 S143 Y156 K160
Catalytic site (residue number reindexed from 1) G16 N113 S141 Y154 K158
Enzyme Commision number 1.1.1.269: 2-(S)-hydroxypropyl-CoM dehydrogenase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 NAI A G14 G18 I19 D38 L39 D64 V65 N91 V114 F141 S143 Y156 K160 P186 T188 V189 T192 M194 G12 G16 I17 D36 L37 D62 V63 N89 V112 F139 S141 Y154 K158 P184 T186 V187 T190 M192
BS02 1HS A S143 Y156 T188 R211 Y215 S141 Y154 T186 R209 Y213
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:4itu, PDBe:4itu, PDBj:4itu
PDBsum4itu
PubMed23474457
UniProtA7IQH5|HCDS3_XANP2 2-(S)-hydroxypropyl-CoM dehydrogenase 3 (Gene Name=xecE3)

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