Structure of PDB 3i3o Chain A

Receptor sequence

>3i3oA (length=282) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor')

FVTMPAQHQNKQPGIESLMNPLPQFEDPNYKGSEKLKGKNVLITGGDSGI
GRAVSIAFAKEGANIAIAYLDEEGDANETKQYVEKEGVKCVLLPGDLSDE
QHCKDIVQETVRQLGSLNILVNNVAQQYPQQGLEYITAEQLEKTFRINIF
SYFHVTKAALSHLKQGDVIINTASIVAYEGNETLIDYSATKGAIVAFTRS
LSQSLVQKGIRVNGVAPGPIWTPLIPSSFDEKKVSQFGSNVPMQRPGQPY
ELAPAYVYLASSDSSYVTGQMIHVNGGVIVNG

3D structure

• PDB: 3i3o 2.06 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor' in complex with NAD-acetone
• Chain: A
• Resolution: 2.06 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): G55 S180 L190 Y193 K197 K238
• Catalytic site (residue number reindexed from 1): G49 S174 L184 Y187 K191 K232

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	MG	A	D53 S54 E78	D47 S48 E72
BS02	NAE	A	G51 D53 S54 G55 I56 Y75 L76 E78 G101 D102 L103 N129 V130 A131 Q132 Q133 I153 T178 S180 Y193 K197 P223 G224 I226 T228 L230	G45 D47 S48 G49 I50 Y69 L70 E72 G95 D96 L97 N123 V124 A125 Q126 Q127 I147 T172 S174 Y187 K191 P217 G218 I220 T222 L224

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity
• GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
• GO:0046872 metal ion binding

External links

• PDB: RCSB:3i3o, PDBe:3i3o, PDBj:3i3o
• PDBsum: 3i3o
• UniProt: A0A6L8PL20