Structure of PDB 5tds Chain A

Receptor sequence

>5tdsA (length=490) Species: 300 (Pseudomonas mendocina)

AMHPRKDWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPY
KTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIA
VGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKK
DRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFT
NMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKR
EEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQ
FERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVT
PEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQ
IPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIV
DRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADK

3D structure

• PDB: 5tds In-crystal reaction cycle of a toluene-bound diiron hydroxylase.
• Chain: A
• Resolution: 1.719 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E104 E134 H137 E197 E231 H234
• Catalytic site (residue number reindexed from 1): E103 E133 H136 E196 E230 H233
• Enzyme Commision number: 1.14.13.236: toluene 4-monooxygenase.

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	FE	A	E104 E134 H137	E103 E133 H136
BS02	FE	A	E134 E197 E231 H234	E133 E196 E230 H233
BS03	MBN	A	Y331 G334 W338 P403	Y330 G333 W337 P402
BS04	MBN	A	W167 P394 M471	W166 P393 M470
BS05	MBN	A	G103 F176 F196	G102 F175 F195
BS06	MBN	A	F196 Q204 F269	F195 Q203 F268

Gene Ontology

Molecular Function

• GO:0004497 monooxygenase activity
• GO:0016491 oxidoreductase activity
• GO:0018638 toluene 4-monooxygenase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009056 catabolic process
• GO:0042203 toluene catabolic process

External links

• PDB: RCSB:5tds, PDBe:5tds, PDBj:5tds
• PDBsum: 5tds
• PubMed: 28346937
• UniProt: Q00456|TMOA_PSEME Toluene-4-monooxygenase system, hydroxylase component subunit alpha (Gene Name=tmoA)