Structure of PDB 7mgo Chain B

Receptor sequence

>7mgoB (length=518) Species: 78245 (Xanthobacter autotrophicus Py2)

VWNARNDHLTINQWATRIDEILEAPDGGEVIYNVDENDPREYDAIFIGGG
AAGRFGSAYLRAMGGRQLIVDRWPFLGGSCPHNACVPHHLFSDCAAELML
ARTFSGQYWFPDMTVVGIKEVVDLFRAGRNGPHGIMNFQSKEQLNLEYIL
NCPAKVIDNHTVEAAGKVFKAKNLILAVGAGPGTLDVPGVNAKGVFDHAT
LVEELDYEPGSTVVVVGGSKTAVEYGCFFNATGRRTVMLVRTEPLKLIKD
NETRAYVLDRMKEQGMEIISGSNVTRIEEDANGRVQAVVAMTPNGEMRIE
TDFVFLGLGEQPRSAELAKILGLDLGPKGEVLVNEYLQTSVPNVYAVGDL
IGGPMEMFKARKSGCYAARNVMGEKISYTPKNYPDFLHTHYEVSFLGMGE
EEARAAGHEIVTIKMPPDTENGLNVALPASDRTMLYAFGKGTAHMSGFQK
IVIDAKTRKVLGAHHVGYGAKDAFQYLNVLIKQGLTVDELGDMDELHLNP
THFIQLSRLRAGSKNLVS

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: B
• 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	B	G52 A54 D73 R74 W75 G80 S81 A86 C87 H90 A158 V182 H202 T225 G352 D353 M359 E360 M361 A364	G50 A52 D71 R72 W73 G78 S79 A84 C85 H88 A154 V178 H198 T221 G348 D349 M355 E356 M357 A360
BS02	COM	B	A53 R56 F57 G79 C82 P83 R365	A51 R54 F55 G77 C80 P81 R361
BS03	MG	B	V429 L431 A447 S450	V425 L427 A443 S446

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)