Structure of PDB 7mgo Chain A

Receptor sequence

>7mgoA (length=489) Species: 78245 (Xanthobacter autotrophicus Py2)

WNARNDHLTINQWATRIDEIGEVIYNVREYDAIFIGGGAAGRFGSAYLRA
MGGRQLIVDRWPFLGGSCPHNACVPHHLFSDCAAELMLARTFSGQYWFPD
MVVGIKEVVDLFRAGRNGPHGIMNFQSKEQLNLEYILNCPAIDNHTVFKA
KNLILAVGAGPGTLDVPGVNAKGVFDHATLVEELDYEPGSTVVVVGGSKT
AVEYGCFFNATGRRTVMLVRTEPLKLIKDNETRAYVLDRMKEQGMEIISG
SNVTRIEEDANGRVQAVVAMTPNGEMRIETDFVFLGLGEQPRSGLDLGPK
GEVLVNEYLQTSNVYAVGDLIGGPMEMFKARKSGCYAARNVMGEKISYTP
KNYPDFLHTHYEVSFLGMGEEEARAAGHEIVTIKMPPDTENGLNVALPAS
DRTMLYAFGKGTAHMSGFQKIVIDAKTRKVLGAHHVGYGAKDAFQYLNVL
IKQGLTVDELGDMDELHLNPTHFIQLSRLRAGSKNLVSL

3D structure

• PDB: 7mgo The unique Phe-His dyad of 2-ketopropyl coenzyme M oxidoreductase/carboxylase selectively promotes carboxylation and S-C bond cleavage.
• Chain: A
• Resolution: 1.85 Å

Enzymatic activity

• Enzyme Commision number: 1.8.1.5: 2-oxopropyl-CoM reductase (carboxylating).

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	FDA	A	G52 A54 D73 R74 W75 S81 A86 C87 H90 A158 A181 V182 H202 G352 D353 M359 E360 M361 A364	G38 A40 D59 R60 W61 S67 A72 C73 H76 A141 A156 V157 H177 G318 D319 M325 E326 M327 A330
BS02	COM	A	A53 R56 F57 C82 P83 R365	A39 R42 F43 C68 P69 R331
BS03	MG	A	V429 L431 A447 S450	V395 L397 A413 S416

Gene Ontology

Molecular Function

• GO:0003955 NAD(P)H dehydrogenase (quinone) activity
• GO:0016491 oxidoreductase activity
• GO:0050628 2-oxopropyl-CoM reductase (carboxylating) activity
• GO:0050660 flavin adenine dinucleotide binding

Biological Process

• GO:0042208 propylene catabolic process

External links

• PDB: RCSB:7mgo, PDBe:7mgo, PDBj:7mgo
• PDBsum: 7mgo
• PubMed: 34265301
• UniProt: Q56839|XECC_XANP2 2-oxopropyl-CoM reductase, carboxylating (Gene Name=xecC)