Structure of PDB 1tmo Chain A Binding Site BS03

Receptor Information
>1tmo Chain A (length=794) Species: 76854 (Shewanella massilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NEDEWLTTGSHFGAFKMKRKNGVIAEVKPFDLDKYPTDMINGIRGMVYNP
SRVRYPMVRLDFLLKGHKSNTHQRGDFRFVRVTWDKALTLFKHSLDEVQT
QYGPSGLHAGQTGWRATGQLHSSTSHMQRAVGMHGNYVKKIGDYSTGAGQ
TILPYVLGSTEVYAQGTSWPLILEHSDTIVLWSNDPYKNLQVGWNAETHE
SFAYLAQLKEKVKQGKIRVISIDPVVTKTQAYLGCEQLYVNPQTDVTLML
AIAHEMISKKLYDDKFIQGYSLGFEEFVPYVMGTKDGVAKTPEWAAPICG
VEAHVIRDLAKTLVKGRTQFMMGWCIQRQQHGEQPYWMAAVLATMIGQIG
LPGGGISYGHHYSSIGVPSSGAAAPGAFPRNLDENQKPLFDSSDFKGASS
TIPVARWIDAILEPGKTIDANGSKVVYPDIKMMIFSGNNPWNHHQDRNRM
KQAFHKLECVVTVDVNWTATCRFSDIVLPACTTYERNDIDVYGAYANRGI
LAMQKMVEPLFDSLSDFEIFTRFAAVLGKEKEYTRNMGEMEWLETLYNEC
KAANAGKFEMPDFATFWKQGYVHFGDGEVWTRHADFRNDPEINPLGTPSG
LIEIFSRKIDQFGYDDCKGHPTWMEKTERSHGGPGSDKHPIWLQSCHPDK
RLHSQMCESREYRETYAVNGREPVYISPVDAKARGIKDGDIVRVFNDRGQ
LLAGAVVSDNFPKGIVRIHEGAWYGPVGKDGSTEGGAEVGALCSYGDPNT
LTLDIGTSKLAQACSAYTCLVEFEKYQGKVPKVSSFDGPIEVEI
Ligand information
Ligand ID2MO
InChIInChI=1S/Mo.2O
InChIKeyQXYJCZRRLLQGCR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.385
OpenEye OEToolkits 2.0.7		O=[Mo]=O
FormulaMo O2
NameMOLYBDENUM (IV)OXIDE
ChEMBL
DrugBank
ZINC
PDB chain1tmo Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1tmo Crystal structure of oxidized trimethylamine N-oxide reductase from Shewanella massilia at 2.5 A resolution.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		W118 S149
Binding residue
(residue number reindexed from 1)		W114 S145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T116 W118 D147 S149 T150 G363 Y366
Catalytic site (residue number reindexed from 1) T112 W114 D143 S145 T146 G359 Y362
Enzyme Commision number 1.7.2.3: trimethylamine-N-oxide reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0043546 molybdopterin cofactor binding
GO:0050626 trimethylamine-N-oxide reductase (cytochrome c) activity
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1tmo, PDBe:1tmo, PDBj:1tmo
PDBsum1tmo
PubMed9813128
UniProtO87948|TORA_SHEMA Trimethylamine-N-oxide reductase (Gene Name=torA)

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