Structure of PDB 3q3n Chain A

Receptor sequence

>3q3nA (length=491) Species: 300 (Pseudomonas mendocina)

AMHPRKDWYELTRATNWTPSYVTEEQLFPERMSGHMGIPLEKWESYDEPY
KTSYPEYVSIQREKDAGAYSVKAALERAKIYENSDPGWISTLKSHYGAIA
VGEYAAVTGEGRMARFSKAPGNRNMATFGMMDELRHGQLQLFFPHEYCKK
DRQFDWAWRAYHSNEWAAIAAKHFFDDIITGRDAISVAIMLTFSFETGFT
NMQFLGLAADAAEAGDYTFANLISSIQTDESRHAQQGGPALQLLIENGKR
EEAQKKVDMAIWRAWRLFAVLTGPVMDYYTPLEDRSQSFKEFMYEWIIGQ
FERSLIDLGLDKPWYWDLFLKDIDELHHSYHMGVWYWRTTAWWNPAAGVT
PEERDWLEEKYPGWNKRWGRCWDVITENVLNDRMDLVSPETLPSVCNMSQ
IPLVGVPGDDWNIEVFSLEHNGRLYHFGSEVDRWVFQQDPVQYQNHMNIV
DRFLAGQIQPMTLEGALKYMGFQSIEEMGKDAHDFAWADKC

3D structure

• PDB: 3q3n Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase.
• Chain: A
• Resolution: 1.84 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	E134 E197 E231 H234	E133 E196 E230 H233
BS02	FE	A	E104 E134 H137	E103 E133 H136
BS03	NPO	A	G103 E104 A107 E134 F176 E231	G102 E103 A106 E133 F175 E230
BS04	NPO	A	W167 T341 L393 P394 P403 I450 M471	W166 T340 L392 P393 P402 I449 M470
BS05	NPO	A	W338 P390 E391 T392 L393 T463 L464	W337 P389 E390 T391 L392 T462 L463

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:3q3n, PDBe:3q3n, PDBj:3q3n
• PDBsum: 3q3n
• PubMed: 22264099
• UniProt: Q00456|TMOA_PSEME Toluene-4-monooxygenase system, hydroxylase component subunit alpha (Gene Name=tmoA)