Structure of PDB 4elw Chain C Binding Site BS01
Receptor Information
>4elw Chain C (length=240) Species:
83333
(Escherichia coli K-12) [
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DEAMLYAPVEWHDCSEGFEDIRYEKSTDGIAKITINRPQVRNAFRPLTVK
EMIQALADARYDDNIGVIILTGAGDKAFCSGGHHLNVLDFQRQIRTCPKP
VVAMVAGYSIGGGHVLHMMCDLTIAADNAIFGQTGPKVGSFDGGWGASYM
ARIVGQKKAREIWFLCRQYDAKQALDMGLVNTVVPLADLEKETVRWCREM
LQNSPMALRCLKAALNADCDGQAGLQELAGNATMLFYMTE
Ligand information
Ligand ID
NO3
InChI
InChI=1S/NO3/c2-1(3)4/q-1
InChIKey
NHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
[O-][N+]([O-])=O
OpenEye OEToolkits 1.5.0
[N+](=O)([O-])[O-]
Formula
N O3
Name
NITRATE ION
ChEMBL
CHEMBL186200
DrugBank
DB14049
ZINC
PDB chain
4elw Chain C Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4elw
Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Resolution
2.551 Å
Binding residue
(original residue number in PDB)
Q154 T155 G156 W184
Binding residue
(residue number reindexed from 1)
Q133 T134 G135 W163
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
G86 L109 G133 V136 G156 S161 D163 G164 A250 Y258
Catalytic site (residue number reindexed from 1)
G82 L88 G112 V115 G135 S140 D142 G143 A229 Y237
Enzyme Commision number
4.1.3.36
: 1,4-dihydroxy-2-naphthoyl-CoA synthase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0005515
protein binding
GO:0008935
1,4-dihydroxy-2-naphthoyl-CoA synthase activity
GO:0016829
lyase activity
GO:0071890
bicarbonate binding
Biological Process
GO:0009234
menaquinone biosynthetic process
Cellular Component
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:4elw
,
PDBe:4elw
,
PDBj:4elw
PDBsum
4elw
PubMed
22606952
UniProt
P0ABU0
|MENB_ECOLI 1,4-dihydroxy-2-naphthoyl-CoA synthase (Gene Name=menB)
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