Structure of PDB 1m3u Chain E Binding Site BS02
Receptor Information
>1m3u Chain E (length=262) Species:
562
(Escherichia coli) [
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PTTISLLQKYKQEKKRFATITAYDYSFAKLFADEGLNVMLVGDSLGMTVQ
GHDSTLPVTVADIAYHTAAVRRGAPNCLLLADLPFMAYATPEQAFENAAT
VMRAGANMVKIEGGEWLVETVQMLTERAVPVCGHLGLTPQSVNIFGGYKV
QGRGDEAGDQLLSDALALEAAGAQLLVLECVPVELAKRITEALAIPVIGI
GAGNVTDGQILVMHDAFGITGGHIPKFAKNFLAETGDIRAAVRQYMAEVE
SGVYPGEEHSFH
Ligand information
Ligand ID
KPL
InChI
InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
InChIKey
PKVVTUWHANFMQC-UHFFFAOYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(C)(CO)C(=O)C(=O)O
ACDLabs 10.04
O=C(O)C(=O)C(C)(C)CO
CACTVS 3.341
CC(C)(CO)C(=O)C(O)=O
Formula
C6 H10 O4
Name
KETOPANTOATE;
2-DEHYDROPANTOATE
ChEMBL
DrugBank
DB03795
ZINC
ZINC000001532800
PDB chain
1m3u Chain E Residue 265 [
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Receptor-Ligand Complex Structure
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PDB
1m3u
Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
Resolution
1.8 Å
Binding residue
(original residue number in PDB)
L42 G44 S46 K112 E181
Binding residue
(residue number reindexed from 1)
L40 G42 S44 K110 E179
Annotation score
5
Enzymatic activity
Enzyme Commision number
2.1.2.11
: 3-methyl-2-oxobutanoate hydroxymethyltransferase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0003824
catalytic activity
GO:0003864
3-methyl-2-oxobutanoate hydroxymethyltransferase activity
GO:0016740
transferase activity
GO:0042802
identical protein binding
GO:0046872
metal ion binding
Biological Process
GO:0015940
pantothenate biosynthetic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0016020
membrane
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1m3u
,
PDBe:1m3u
,
PDBj:1m3u
PDBsum
1m3u
PubMed
12906829
UniProt
P31057
|PANB_ECOLI 3-methyl-2-oxobutanoate hydroxymethyltransferase (Gene Name=panB)
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