Structure of PDB 1dmr Chain A

Receptor sequence

>1dmrA (length=779) Species: 1061 (Rhodobacter capsulatus)

LANGTVMSGSHWGVFTATVENGRATAFTPWEKDPHPSPMLAGVLDSIYSP
TRIKYPMVRREFLEKGVNADRSTRGNGDFVRVSWDQALDLVAAEVKRVEE
TYGPEGVFGGSYGWKSPGRLHNCTTLLRRMLTLAGGYVNGAGDYSTGAAQ
VIMPHVVGTLEVYEQQTAWPVLAENTEVMVFWAADPIKTSQIGWVIPEHG
AYPGLEALKAKGTKVIVIDPVRTKTVEFFGAEHITPKPQTDVAIMLGMAH
TLVAEDLYDKDFIANYTSGFDKFLPYLDGETDSTPKTAEWAEGISGVPAE
TIKELARLFESKRTMLAAGWSMQRMHHGEQAHWMLVTLASMLGQIGLPGG
GFGLSYHYSGGGTPSTSGPALAGITDGGAATKGPEWLAASGASVIPVARV
VDMLENPGAEFDFNGTRSKFPDVKMAYWVGGNPFVHHQDRNRMVKAWEKL
ETFVVHDFQWTPTARHADIVLPATTSYERNDIETIGDYSNTGILAMKKIV
EPLYEARSDYDIFAAVAERLGKGAEFTEGKDEMGWIKSFYDDAAKQGKAA
GVQMPAFDAFWAEGIVEFPVTDGADFVRYASFREDPLLNPLGTPTGLIEI
YSKNIEKMGYDDCPAHPTWMEPLERLDGPGAKYPLHIAASHPFNRLHSQL
NGTVLREGYAVQGHEPCLMHPDDAAARGIADGDVVRVHNDRGQILTGVKV
TDAVMKGVIQIYEGGWYDPSDVTEPGTLDKYGDVNVLSADIGTSKLAQGN
CGQTVLAEVEKYTGPAVTLTGFVAPKAAE

3D structure

• PDB: 1dmr Molybdenum Active Centre of Dmso Reductase from Rhodobacter Capsulatus: Crystal Structure of the Oxidised Enzyme at 1.82-A Resolution and the Dithionite-Reduced Enzyme at 2.8-A Resolution
• Chain: A
• Resolution: 1.82 Å

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.

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	PGD	A	Y114 G115 W116 K117 S118 C125 Y146 S147 R326 G432 G433 N434 H438 H458 D459 F460 D511 A641 H643 H649 S650 Q651 E715 N737 G754	Y112 G113 W114 K115 S116 C123 Y144 S145 R324 G430 G431 N432 H436 H456 D457 F458 D509 A639 H641 H647 S648 Q649 E713 N735 G752
BS02	PGD	A	W116 S147 A185 K190 T191 I194 I220 D221 P222 P240 D243 G321 W322 S323 R326 M327 H359 S642 H643 P644 L648 H649 Q755	W114 S145 A183 K188 T189 I192 I218 D219 P220 P238 D241 G319 W320 S321 R324 M325 H357 S640 H641 P642 L646 H647 Q753

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity
• GO:0043546 molybdopterin cofactor binding

External links

• PDB: RCSB:1dmr, PDBe:1dmr, PDBj:1dmr
• PDBsum: 1dmr
• UniProt: Q52675|DSTOR_RHOCA Dimethyl sulfoxide/trimethylamine N-oxide reductase (Gene Name=dorA)