Structure of PDB 4eml Chain D Binding Site BS01
Receptor Information
>4eml Chain D (length=258) Species:
1111708
(Synechocystis sp. PCC 6803 substr. Kazusa) [
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MDWHIAKHYDDILYYKAGGIAKIVINRPHKRNAFRPQTVFELYDAFCNAR
EDNRIGVVLLTGAGPHSDGKYAFCSGGDLNVLDLQRLIRSMPKVVIALVA
GYAIGGGHVLHLVCDLTIAADNAIFGQTGPKVGSFDGGFGSSYLARIVGQ
KKAREIWYLCRQYSAQEAERMGMVNTVVPVDRLEEEGIQWAKEILSKSPL
AIRCLKAAFNADCDGQAGLQELAGNATLLYYMTEEGSEGKQAFLEKRPPD
FSQYPWLP
Ligand information
Ligand ID
BCT
InChI
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKey
BVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(=O)(O)[O-]
CACTVS 3.341
OC([O-])=O
ACDLabs 10.04
[O-]C(=O)O
Formula
C H O3
Name
BICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain
4eml Chain D Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
4eml
Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Resolution
2.043 Å
Binding residue
(original residue number in PDB)
G122 Q144 G146 W174
Binding residue
(residue number reindexed from 1)
G105 Q127 G129 W157
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
G77 L99 G123 V126 G146 S151 D153 G154 A240 Y248
Catalytic site (residue number reindexed from 1)
G77 L82 G106 V109 G129 S134 D136 G137 A223 Y231
Enzyme Commision number
4.1.3.36
: 1,4-dihydroxy-2-naphthoyl-CoA synthase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0008935
1,4-dihydroxy-2-naphthoyl-CoA synthase activity
GO:0016829
lyase activity
Biological Process
GO:0009234
menaquinone biosynthetic process
GO:0042372
phylloquinone 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:4eml
,
PDBe:4eml
,
PDBj:4eml
PDBsum
4eml
PubMed
22606952
UniProt
P73495
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