Structure of PDB 6isv Chain B

Receptor sequence

>6isvB (length=341) Species: 1173061 (Geotrichum candidum)

GKVPETHKGYVFTSGSSRLTLKDVPTYKPGPGEVLLKLEASGVCHSDLHI
LQGSFPIPSNSVLGHEITGTVVAYGLGVDPKTYPEGQLYAAHGPNPCGSC
RECRSGKDNLCHAENRTNYGLGYPGGYQQYTLAKVHNLIKVPDGVGAAIA
AVTTDAVLTPYHAFKKADINGLSKILIIGLGGLGINAVQIAKAMGAHVTA
YDLKESSRQLARQFGADVVLESLTLDDASKEYDFVADIVSIQSTFDLALK
QVKSNGLVIPLGLGSPKLTFDQNDLLVREIRILGSFWGTSLDQAEVFDLV
KSGAFKPQVETGKFKDLNEILEKLEKGQIKSRLVLTDFDDI

3D structure

• PDB: 6isv Structural basis for a highly (S)-enantioselective reductase towards aliphatic ketones with only one carbon difference between side chain.
• Chain: B
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): C45 S47 H50 H66 D156
• Catalytic site (residue number reindexed from 1): C44 S46 H49 H65 D155
• Enzyme Commision number: 1.1.1.1: alcohol 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	NAD	B	C45 H46 S47 H50 D156 T160 G182 G183 L184 Y202 D203 L204 I239 V240 L262 G263 L264 F287 W288 R333	C44 H45 S46 H49 D155 T159 G181 G182 L183 Y201 D202 L203 I238 V239 L261 G262 L263 F286 W287 R332
BS02	ZN	B	C98 C101 C104 C112	C97 C100 C103 C111
BS03	ZN	B	C45 H66 D156	C44 H65 D155

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:6isv, PDBe:6isv, PDBj:6isv
• PDBsum: 6isv
• PubMed: 31482280
• UniProt: M5A8V4