Structure of PDB 1m3u Chain I Binding Site BS02

Receptor Information
>1m3u Chain I (length=262) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTTISLLQKYKQEKKRFATITAYDYSFAKLFADEGLNVMLVGDSLGMTVQ
GHDSTLPVTVADIAYHTAAVRRGAPNCLLLADLPFMAYATPEQAFENAAT
VMRAGANMVKIEGGEWLVETVQMLTERAVPVCGHLGLTPQSVNIFGGYKV
QGRGDEAGDQLLSDALALEAAGAQLLVLECVPVELAKRITEALAIPVIGI
GAGNVTDGQILVMHDAFGITGGHIPKFAKNFLAETGDIRAAVRQYMAEVE
SGVYPGEEHSFH
Ligand information
Ligand IDKPL
InChIInChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
InChIKeyPKVVTUWHANFMQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)(CO)C(=O)C(=O)O
ACDLabs 10.04O=C(O)C(=O)C(C)(C)CO
CACTVS 3.341CC(C)(CO)C(=O)C(O)=O
FormulaC6 H10 O4
NameKETOPANTOATE;
2-DEHYDROPANTOATE
ChEMBL
DrugBankDB03795
ZINCZINC000001532800
PDB chain1m3u Chain I Residue 265 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1m3u Structure of E. coli Ketopantoate Hydroxymethyl Transferase Complexed with Ketopantoate and Mg(2+), Solved by Locating 160 Selenomethionine Sites.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L42 G44 D45 S46 K112 H136 E181 I212
Binding residue
(residue number reindexed from 1)		L40 G42 D43 S44 K110 H134 E179 I210
Annotation score5
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
PDBsum1m3u
PubMed12906829
UniProtP31057|PANB_ECOLI 3-methyl-2-oxobutanoate hydroxymethyltransferase (Gene Name=panB)

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