Structure of PDB 5fll Chain A

Receptor sequence

>5fllA (length=251) Species: 1423 (Bacillus subtilis)

EETFYSVRMRASMNGSGGKHISGGERLIPFHEMKHTVNALLEKGLSHSRG
KPDFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGVSR
DVIEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDANF
EKWALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYVAG
KKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWEED
H

3D structure

• PDB: 5fll Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
• Chain: A
• Resolution: 2.34 Å

Enzymatic activity

• Enzyme Commision number: 6.2.1.14: 6-carboxyhexanoate--CoA ligase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	WAQ	A	E31 R123 G124 A125 R145 V146 R170 I171 L177 S194 D195 D196 Y199 T201 Y203 Y211 R213 R227	E25 R117 G118 A119 R139 V140 R164 I165 L171 S188 D189 D190 Y193 T195 Y197 Y205 R207 R221
BS02	PPV	A	H26 S28 G29 K49 H53 R145 D196	H20 S22 G23 K43 H47 R139 D190
BS03	MG	A	D195 D196	D189 D190

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0042410 6-carboxyhexanoate-CoA ligase activity

Biological Process

• GO:0009102 biotin biosynthetic process

External links

• PDB: RCSB:5fll, PDBe:5fll, PDBj:5fll
• PDBsum: 5fll
• PubMed: 28414710
• UniProt: P53559|BIOW_BACSU 6-carboxyhexanoate--CoA ligase (Gene Name=bioW)