Structure of PDB 1pl8 Chain D Binding Site BS01

Receptor Information
>1pl8 Chain D (length=356) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAAKPNNLSLVVHGPGDLRLENYPIPEPGPNEVLLRMHSVGICGSDVHY
WEYGRIGNFIVKKPMVLGHEASGTVEKVGSSVKHLKPGDRVAIEPGAPRE
NDEFCKMGRYNLSPSIFFCATPPDDGNLCRFYKHNAAFCYKLPDNVTFEE
GALIEPLSVGIHACRRGGVTLGHKVLVCGAGPIGMVTLLVAKAMGAAQVV
VTDLSATRLSKAKEIGADLVLQISKESPQEIARKVEGQLGCKPEVTIECT
GAEASIQAGIYATRSGGTLVLVGLGSEMTTVPLLHAAIREVDIKGVFRYC
NTWPVAISMLASKSVNVKPLVTHRFPLEKALEAFETFKKGLGLKIMLKCD
PSDQNP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1pl8 Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pl8 X-ray crystallographic and kinetic studies of human sorbitol dehydrogenase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C44 H69 E70
Binding residue
(residue number reindexed from 1)		C44 H69 E70
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C44 G45 S46 H49 H69 E70 R99 D102 C105 S113 F117 P156 G160 K344
Catalytic site (residue number reindexed from 1) C44 G45 S46 H49 H69 E70 R99 D102 C105 S113 F117 P156 G160 K344
Enzyme Commision number 1.1.1.-
1.1.1.14: L-iditol 2-dehydrogenase.
1.1.1.4: (R,R)-butanediol dehydrogenase.
1.1.1.56: ribitol 2-dehydrogenase.
1.1.1.9: D-xylulose reductase.
Gene Ontology
Molecular Function
GO:0000721 (R,R)-butanediol dehydrogenase activity
GO:0003824 catalytic activity
GO:0003939 L-iditol 2-dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0030246 carbohydrate binding
GO:0042802 identical protein binding
GO:0046526 D-xylulose reductase activity
GO:0046872 metal ion binding
GO:0047833 D-sorbitol dehydrogenase (acceptor) activity
GO:0050255 ribitol 2-dehydrogenase (NAD+) activity
GO:0051287 NAD binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006060 sorbitol metabolic process
GO:0006062 sorbitol catabolic process
GO:0019640 D-glucuronate catabolic process to D-xylulose 5-phosphate
GO:0030317 flagellated sperm motility
GO:0046370 fructose biosynthetic process
GO:0051160 xylitol catabolic process
GO:0051164 xylitol metabolic process
Cellular Component
GO:0005615 extracellular space
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0016020 membrane
GO:0031514 motile cilium
GO:0031966 mitochondrial membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1pl8, PDBe:1pl8, PDBj:1pl8
PDBsum1pl8
PubMed12962626
UniProtQ00796|DHSO_HUMAN Sorbitol dehydrogenase (Gene Name=SORD)

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