Structure of PDB 3wle Chain B

Receptor sequence
>3wleB (length=335) Species: 5480 (Candida parapsilosis) [Search protein sequence]
SIPSSQYGFVFNKQSGLKLRNDLPVHKPKAGQLLLKVDAVGLCHSDLHVI
YEGLDCGDNYVMGHEIAGTVAAVGDDVINYKVGDRVACVGPNGCGGCKYC
RGAIDNVCKNAFGDWFGLGYDGGYQQYLLVTRPRNLSRIPDNVSADVAAA
STDAVLTPYHAIKMAQVSPTSNILLIGAGGLGGNAIQVAKAFGAKVTVLD
KKKEARDQAKKLGADAVYETLPESISPGSFSACFDFVSVQATFDVCQKYV
EPKGVIMPVGLGAPNLSFNLGDLALREIRILGSFWGTTNDLDDVLKLVSE
GKVKPVVRSAKLKELPEYIEKLRNNAYEGRVVFNP
3D structure
PDB3wle Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase
ChainB
Resolution2.164 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) C44 H45 S46 H49 H65 E66 C95 C98 C101 C109 F113 D154 T158 R331
Catalytic site (residue number reindexed from 1) C43 H44 S45 H48 H64 E65 C94 C97 C100 C108 F112 D153 T157 R330
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 C44 H45 S46 H49 D154 T158 G181 L182 D201 K202 F237 V238 T243 V260 G261 L262 F285 N326 R331 C43 H44 S45 H48 D153 T157 G180 L181 D200 K201 F236 V237 T242 V259 G260 L261 F284 N325 R330
BS02 ZN B C44 H65 D154 C43 H64 D153
BS03 ZN B C95 C98 C101 C109 C94 C97 C100 C108
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3wle, PDBe:3wle, PDBj:3wle
PDBsum3wle
PubMed24834985
UniProtA1X808

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