Structure of PDB 2g74 Chain B Binding Site BS01

Receptor Information
>2g74 Chain B (length=180) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EHVILLNAQGVPTGTLEKYAAHTADTRLHLAFSSWLFNAKGQLLVTRRAL
SKKAWPGVWTNSVCGHPQLGESNEDAVIRRCRYELGVEITPPESIYPDFR
FRATDPSGIVENEVCPVFAARTTSALQINDDEVMDYQWCDLADVLHGIDA
TPWAFSPWMVMQATNREARKRLSAFTQLKL
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 chain2g74 Chain B Residue 184 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2g74 Structural role for Tyr-104 in Escherichia coli isopentenyl-diphosphate isomerase: site-directed mutagenesis, enzymology, and protein crystallography.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		H25 H32 H69 E114 E116
Binding residue
(residue number reindexed from 1)		H22 H29 H66 E111 E113
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H25 H32 C67 H69 E87 F104 E114 E116 W161
Catalytic site (residue number reindexed from 1) H22 H29 C64 H66 E84 F101 E111 E113 W158
Enzyme Commision number 5.3.3.2: isopentenyl-diphosphate Delta-isomerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004452 isopentenyl-diphosphate delta-isomerase activity
GO:0008270 zinc ion binding
GO:0016853 isomerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006974 DNA damage response
GO:0008299 isoprenoid biosynthetic process
GO:0050992 dimethylallyl diphosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2g74, PDBe:2g74, PDBj:2g74
PDBsum2g74
PubMed16617181
UniProtQ46822|IDI_ECOLI Isopentenyl-diphosphate Delta-isomerase (Gene Name=idi)

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