Structure of PDB 3i3o Chain E

Receptor sequence

>3i3oE (length=279) Species: 261594 (Bacillus anthracis str. 'Ames Ancestor')

MPAQHQNKQPGIESLMNPLPQFEDPNYKGSEKLKGKNVLITGGDSGIGRA
VSIAFAKEGANIAIAYLDEEGDANETKQYVEKEGVKCVLLPGDLSDEQHC
KDIVQETVRQLGSLNILVNNVAQQYPQQGLEYITAEQLEKTFRINIFSYF
HVTKAALSHLKQGDVIINTASIVAYEGNETLIDYSATKGAIVAFTRSLSQ
SLVQKGIRVNGVAPGPIWTPLIPSSFDEKKVSQFGSNVPMQRPGQPYELA
PAYVYLASSDSSYVTGQMIHVNGGVIVNG

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: E
• 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): G46 S171 L181 Y184 K188 K229

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	E	D53 S54 E78	D44 S45 E69
BS02	NAE	E	P19 D53 S54 G55 I56 Y75 L76 E78 G101 D102 L103 N129 V130 A131 Q132 Q133 I153 T178 S180 Y193 K197 P223 I226 T228 P229 L230	P10 D44 S45 G46 I47 Y66 L67 E69 G92 D93 L94 N120 V121 A122 Q123 Q124 I144 T169 S171 Y184 K188 P214 I217 T219 P220 L221

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