Structure of PDB 5f2k Chain A Binding Site BS02

Receptor Information

>5f2k Chain A (length=358) Species: 216594 (Mycobacterium marinum M) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SVVVRPAPMESATYSQSSRLQAAGLSPAITLFEKAAQTVPLPDAPQPVVI
ADYGVATGHNSLKPMMAAINALRRRIREDRAIMVAHTDVPDNDFTALFRT
LADDPDSYLHHDSASFASAVGRSFYTQILPSNTVSLGWSSWAIQWLSRIP
AGAPELTDHVQVAYSKDERARAAYAHQAATDWQDFLAFRGRELCPGGRLV
VLTMALDEHGHFGYRPMNDALVAALNDQVRDGLLRPEELRRMAIPVVARA
EKDLRAPFAPRGWFEGLTIEQLDVFNAEDRFWAAFQSDGDAESFGAQWAG
FARAALFPTLAAALDCGTGDPRATAFIEQLEASVADRLASQPEPMRIPLA
SLVLAKRA

Ligand information

Ligand ID

OCA

InChI

InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)

InChIKey

WWZKQHOCKIZLMA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O=C(O)CCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCC(=O)O
CACTVS 3.341	CCCCCCCC(O)=O

Formula

C8 H16 O2

Name

OCTANOIC ACID (CAPRYLIC ACID)

PDB chain

5f2k Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5f2k Biochemical Studies of Mycobacterial Fatty Acid Methyltransferase: A Catalyst for the Enzymatic Production of Biodiesel.
Resolution	1.6 Å
Binding residue (original residue number in PDB)	Q31 W151 M214 L316
Binding residue (residue number reindexed from 1)	Q21 W141 M204 L306
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0008168	methyltransferase activity
GO:0008757	S-adenosylmethionine-dependent methyltransferase activity

	Biological Process
GO:0032259	methylation

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Molecular Function

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Biological Process

External links

PDB	RCSB:5f2k, PDBe:5f2k, PDBj:5f2k
PDBsum	5f2k
PubMed	26526103
UniProt	B2HHT4

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