Structure of PDB 4bnh Chain C Binding Site BS01
Receptor Information
>4bnh Chain C (length=255) Species:
158879
(Staphylococcus aureus subsp. aureus N315) [
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VNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKL
LEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMED
LRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGE
FAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGV
GGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSG
FHAIK
Ligand information
Ligand ID
GLU
InChI
InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
WHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0
C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0
C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370
N[CH](CCC(O)=O)C(O)=O
Formula
C5 H9 N O4
Name
GLUTAMIC ACID
ChEMBL
CHEMBL575060
DrugBank
DB00142
ZINC
ZINC000001482113
PDB chain
4bnh Chain C Residue 1259 [
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Receptor-Ligand Complex Structure
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PDB
4bnh
Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex.
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
K7 D88 G140 R184
Binding residue
(residue number reindexed from 1)
K6 D87 G139 R183
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
Y147 Y157 M160 K164 K199
Catalytic site (residue number reindexed from 1)
Y146 Y156 M159 K163 K198
Enzyme Commision number
1.3.1.39
: enoyl-[acyl-carrier-protein] reductase (NADPH, Re-specific).
Gene Ontology
Molecular Function
GO:0000166
nucleotide binding
GO:0004318
enoyl-[acyl-carrier-protein] reductase (NADH) activity
GO:0016491
oxidoreductase activity
GO:0042802
identical protein binding
GO:0141148
enoyl-[acyl-carrier-protein] reductase (NADPH) activity
Biological Process
GO:0006633
fatty acid biosynthetic process
View graph for
Molecular Function
View graph for
Biological Process
External links
PDB
RCSB:4bnh
,
PDBe:4bnh
,
PDBj:4bnh
PDBsum
4bnh
PubMed
23697754
UniProt
A0A0H3JLH9
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