Structure of PDB 4eml Chain A Binding Site BS02

Receptor Information
>4eml Chain A (length=261) Species: 1111708 (Synechocystis sp. PCC 6803 substr. Kazusa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDWHIAKHYDDILYYKAGGIAKIVINRPHKRNAFRPQTVFELYDAFCNAR
EDNRIGVVLLTGAGPHSDGKYAFCSGGDQSRLNVLDLQRLIRSMPKVVIA
LVAGYAIGGGHVLHLVCDLTIAADNAIFGQTGPKVGSFDGGFGSSYLARI
VGQKKAREIWYLCRQYSAQEAERMGMVNTVVPVDRLEEEGIQWAKEILSK
SPLAIRCLKAAFNADCDGQAGLQELAGNATLLYYMTEEGSEGKQAFLEKR
PPDFSQYPWLP
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain4eml Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4eml Active site binding and catalytic role of bicarbonate in 1,4-dihydroxy-2-naphthoyl coenzyme A synthases from vitamin K biosynthetic pathways
Resolution2.043 Å
Binding residue
(original residue number in PDB)		D198 R199 E201 E202
Binding residue
(residue number reindexed from 1)		D184 R185 E187 E188
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G77 R95 L99 G123 V126 G146 S151 D153 G154 A240 Y248
Catalytic site (residue number reindexed from 1) G77 R81 L85 G109 V112 G132 S137 D139 G140 A226 Y234
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
PDBsum4eml
PubMed22606952
UniProtP73495

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