Structure of PDB 1dms Chain A Binding Site BS03

Receptor Information
>1dms Chain A (length=766) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPTPMLEGVLDSIYSP
TRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEE
TYGPQGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQ
VIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHG
AYPGLEALKAKGTKVIVIDPVRTKTVEFFGADHVTPKPQTDVAIMLGMAH
TLVAEDLYDKDFIANYTSGFDKFLPYLMGETDSTPKTAEWASDISGVPAE
TIKELARLFKSKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGG
GFGLSYHYSGGGTPSSSGPALSGITDGGASVIPVARVVDMLENPGAEFDF
NGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKLETFIVHDFQWTPT
ARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIVEPLYEARSDYDIF
AAVAERLGKGKEFTEGKDEMGWIKSFYDDAAKQGKAGGVEMPAFDAFWAE
GIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEIYSKNIEKMGYDDC
PAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQLNGTVLREGYAVQG
HEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKVTDAVMKGVIQIYE
GGWYDPSDVTEAGTLDKYGDVNVLSADIGTSKLAQGNCGQTVLAEVEKYT
GPAVTLTGFVAPKAAE
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 chain1dms Chain A Residue 784 [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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PDB1dms Crystal structure of dimethyl sulfoxide reductase from Rhodobacter capsulatus at 1.88 A resolution.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		Y114 W116 Y146 S147
Binding residue
(residue number reindexed from 1)		Y112 W114 Y144 S145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) M41 Y114 W116 D145 S147 T148 V153 I154 W322 S357 Y358 H359 Y360
Catalytic site (residue number reindexed from 1) M39 Y112 W114 D143 S145 T146 V151 I152 W320 S355 Y356 H357 Y358
Enzyme Commision number 1.7.2.3: trimethylamine-N-oxide reductase.
1.8.5.3: respiratory dimethylsulfoxide reductase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0030151 molybdenum ion binding
GO:0043546 molybdopterin cofactor binding
GO:0046872 metal ion binding
GO:0050626 trimethylamine-N-oxide reductase (cytochrome c) activity
Biological Process
GO:0009061 anaerobic respiration
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1dms, PDBe:1dms, PDBj:1dms
PDBsum1dms
PubMed8890912
UniProtQ52675|DSTOR_RHOCA Dimethyl sulfoxide/trimethylamine N-oxide reductase (Gene Name=dorA)

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