Structure of PDB 5fll Chain B

Receptor sequence

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

ETFYSVRMRASMNGSHEDGGKHISGGERLIPFHEMKHTVNALLEKGLSHS
RGKPDFMQIQFEEVHESIKTIQPLPVHTNEVSCPEEGQKLARLLLEKEGV
SRDVIEKAYEQIPEWSDVRGAVLFDIHTGKRMDQTKEKGVRVSRMDWPDA
NFEKWALHSHVPAHSRIKEALALASKVSRHPAVVAELCWSDDPDYITGYV
AGKKMGYQRITAMKEYGTEEGCRVFFIDGSNDVNTYIHDLEKQPILIEWE
E

3D structure

• PDB: 5fll Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
• Chain: B
• 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	B	E31 R123 G124 A125 R145 V146 R170 I171 L177 S194 D195 D196 Y199 T201 Y203 Y211 R213 R227	E27 R119 G120 A121 R141 V142 R166 I167 L173 S190 D191 D192 Y195 T197 Y199 Y207 R209 R223
BS02	PPV	B	H26 S28 G29 K49 H53 R145 D196	H22 S24 G25 K45 H49 R141 D192
BS03	MG	B	D195 D196	D191 D192

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)