Structure of PDB 3h02 Chain A Binding Site BS01

Receptor Information
>3h02 Chain A (length=266) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DETMLYAPVEWHDCSEGYTDIRYEKSTDGIAKITINRPQVRNAFRPLTVK
EMIQALADARYDDNVGVIILTGEGDKAFCAGGDQHHLNVLDFQRQIRTCP
KPVVAMVAGYSIGGGHVLHMMCDLTIAAENAIFGQTGPKVGSFDGGWGAS
YMARIVGQKKAREIWFLCRQYDAQQALDMGLVNTVVPLADLEKETVRWCR
EMLQNSPMALRCLKAALNADCDGQAGLQELAGNATMLFYMTEEGQEGRNA
FNQKRQPDFSKFKRNP
Ligand information
Ligand IDBCT
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(O)[O-]
CACTVS 3.341OC([O-])=O
ACDLabs 10.04[O-]C(=O)O
FormulaC H O3
NameBICARBONATE ION
ChEMBL
DrugBank
ZINC
PDB chain3h02 Chain A Residue 287 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3h02 2.15 Angstrom Resolution Crystal Structure of Naphthoate Synthase from Salmonella typhimurium.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		G132 Q154 G156 W184
Binding residue
(residue number reindexed from 1)		G113 Q135 G137 W165
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G86 H105 L109 G133 V136 G156 S161 D163 G164 A250 Y258
Catalytic site (residue number reindexed from 1) G82 H86 L90 G114 V117 G137 S142 D144 G145 A231 Y239
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
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:3h02, PDBe:3h02, PDBj:3h02
PDBsum3h02
PubMed
UniProtQ7CQ56|MENB_SALTY 1,4-dihydroxy-2-naphthoyl-CoA synthase (Gene Name=menB)

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