Structure of PDB 2dho Chain A Binding Site BS01

Receptor Information
>2dho Chain A (length=215) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QVQLLAEMCILIDENDNKIGAETKKNCHLNENIEKGLLHRAFSVFLFNTE
NKLLLQQRSDAKITFPGCFTNTCCSHPLSNPAELEESDALGVRRAAQRRL
KAELGIPLEEVPPEEINYLTRIHYKAQSDGIWGEHEIDYILLVRMNVTLN
PDPNEIKSYCYVSKEELKELLKKAASGEIKITPWFKIIAATFLFKWWDNL
NHLNQFVDHEKIYRM
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain2dho Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2dho Crystal structures of human IPP isomerase: new insights into the catalytic mechanism
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H40 H51 H88 E146 E148
Binding residue
(residue number reindexed from 1)		H28 H39 H76 E134 E136
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H51 C86 H88 E115 Y136 E146 E148 W196
Catalytic site (residue number reindexed from 1) H39 C74 H76 E103 Y124 E134 E136 W184
Enzyme Commision number 5.3.3.2: isopentenyl-diphosphate Delta-isomerase.
Gene Ontology
Molecular Function
GO:0004452 isopentenyl-diphosphate delta-isomerase activity
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006695 cholesterol biosynthetic process
GO:0008299 isoprenoid biosynthetic process
GO:0009240 isopentenyl diphosphate biosynthetic process
GO:0050992 dimethylallyl diphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2dho, PDBe:2dho, PDBj:2dho
PDBsum2dho
PubMed17137593
UniProtQ13907|IDI1_HUMAN Isopentenyl-diphosphate Delta-isomerase 1 (Gene Name=IDI1)

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