Structure of PDB 5mgb Chain B

Receptor sequence

>5mgbB (length=720) Species: 10116 (Rattus norvegicus)

SHMAEYLRLPHSLAMIRLCNPPVNAVSPTVIREVRNGLQKAGSDHTVKAI
VICGANGNFCAGADIHGFSAFTPGLALGSLVDEIQRYQKPVLAAIQGVAL
GGGLELALGCHYRIANAKARVGLPEVTLGILPGARGTQLLPRVVGVPVAL
DLITSGKYLSADEALRLGILDAVVKSDPVEEAIKFAQKIIDKPIEPRRIF
NKPVPSLPNMDSVFAEAIAKVRKQYPGVLAPETCVRSIQASVKHPYEVGI
KEEEKLFMYLRASGQAKALQYAFFAEKSANKWSTPSGASWKTASAQPVSS
VGVLGLGTMGRGIAISFARVGISVVAVESDPKQLDAAKKIITFTLEKEAS
RAHQNGQASAKPKLRFSSSTKELSTVDLVVEAVFEDMNLKKKVFAELSAL
CKPGAFLCTNTSALNVDDIASSTDRPQLVIGTHFFSPAHVMRLLEVIPSR
YSSPTTIATVMSLSKKIGKIGVVVGNCYGFVGNRMLAPYYNQGFFLLEEG
SKPEDVDGVLEEFGFKMGPFRVSDLAGLDVGWKIRKGQGLTGPSLPPGTP
VRKRGNSRYSPLGDMLCEAGRFGQKTGKGWYQYDKPLGRIHKPDPWLSTF
LSQYREVHHIEQRTISKEEILERCLYSLINEAFRILEEGMAARPEHIDVI
YLHGYGWPRHKGGPMFYAASVGLPTVLEKLQKYYRQNPDIPQLEPSDYLR
RLVAQGSPPLKEWQSLAGPH

3D structure

• PDB: 5mgb Structural enzymology comparisons of multifunctional enzyme, type-1 (MFE1): the flexibility of its dehydrogenase part.
• Chain: B
• Resolution: 2.8 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A61 F66 G76 G100 E103 P122 E123 P130 G131 K249 S410 H431 E443 N481
• Catalytic site (residue number reindexed from 1): A63 F68 G78 G102 E105 P124 E125 P132 G133 K251 S412 H433 E445 N483
• Enzyme Commision number: 1.1.1.35: 3-hydroxyacyl-CoA dehydrogenase.
  4.2.1.17: enoyl-CoA hydratase.
  5.3.3.8: Delta(3)-Delta(2)-enoyl-CoA isomerase.

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	CAA	B	P20 V21 A59 G60 A61 D62 I63 F66 G100 P122 E123 L126 Y156 K275	P22 V23 A61 G62 A63 D64 I65 F68 G102 P124 E125 L128 Y158 K277
BS02	NAD	B	L302 G303 G305 T306 M307 E326 S327 Q331 V381 F382 E383 N408 S410 H431	L304 G305 G307 T308 M309 E328 S329 Q333 V383 F384 E385 N410 S412 H433

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0003857 3-hydroxyacyl-CoA dehydrogenase activity
• GO:0004165 delta(3)-delta(2)-enoyl-CoA isomerase activity
• GO:0004300 enoyl-CoA hydratase activity
• GO:0016491 oxidoreductase activity
• GO:0016509 long-chain-3-hydroxyacyl-CoA dehydrogenase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0016829 lyase activity
• GO:0016853 isomerase activity
• GO:0016863 intramolecular oxidoreductase activity, transposing C=C bonds
• GO:0019899 enzyme binding
• GO:0070403 NAD+ binding

Biological Process

• GO:0006631 fatty acid metabolic process
• GO:0006635 fatty acid beta-oxidation

Cellular Component

• GO:0005777 peroxisome
• GO:0005829 cytosol

External links

• PDB: RCSB:5mgb, PDBe:5mgb, PDBj:5mgb
• PDBsum: 5mgb
• PubMed: 29226071
• UniProt: P07896|ECHP_RAT Peroxisomal bifunctional enzyme (Gene Name=Ehhadh)