Structure of PDB 5ahs Chain B

Receptor sequence

>5ahsB (length=391) Species: 1247726 (Advenella mimigardefordensis DPN7)

YELTPEQRTLQTQARELAQSVFASTAVQTDLTEQYPWDNVAQLRDAGFMG
MMLPTSVGGRGLSTLDTVIVIEEMAKACATMGRITVDSNLGAIGAITKYG
SEEQIKLAADLVLAGDKPAICISEPNAGSAASEMTTRADKNGDHYILNGE
KYWITGGGVSKLHLIFARVFDDGVEQGIGAFITVLDDHGPEGLKVGRRLY
AMGVRGIPETHLEFHDLKIHKSMMITFPDGLKRGFAALMSAYNAQRVGAG
AVALGIAQCAFEEGVAYLKRREQFGRPLAEFQGLQWMVADMSVQLEAARL
MLRSAAVSGETFPDINKAAQAKIFAAETANKVTNDALQFFGSSGYGRHNP
MERHVRDARMFTIAGGTAQILRTQVASKILDMKLPQTRDGY

3D structure

• PDB: 5ahs 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold.
• Chain: B
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): I123 S124 Q246 G366 S378
• Catalytic site (residue number reindexed from 1): I122 S123 Q245 G365 S377
• Enzyme Commision number: 3.13.1.4: 3-sulfinopropanoyl-CoA desulfinase.

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	FAD	B	R272 Q274 F275 L279 F282 L285 Q339 F340 G342 S343	R271 Q273 F274 L278 F281 L284 Q338 F339 G341 S342
BS02	FAD	B	I121 I123 S124 G129 S130 W154 T156 E210 M361 A365 T368 Q370 I371 Q387	I120 I122 S123 G128 S129 W153 T155 E209 M360 A364 T367 Q369 I370 Q386
BS03	COA	B	S130 A237 M240 S241 Y243 N244 R247 I316 G366 I371	S129 A236 M239 S240 Y242 N243 R246 I315 G365 I370

Gene Ontology

Molecular Function

• GO:0003995 acyl-CoA dehydrogenase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
• GO:0016787 hydrolase activity
• GO:0050660 flavin adenine dinucleotide binding

External links

• PDB: RCSB:5ahs, PDBe:5ahs, PDBj:5ahs
• PDBsum: 5ahs
• PubMed: 26057676
• UniProt: K4L7X3|SPCAD_ADVMD 3-sulfinopropanoyl-CoA desulfinase (Gene Name=acd)