Structure of PDB 1eu1 Chain A Binding Site BS05

Receptor Information
>1eu1 Chain A (length=767) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANGEVMSGCHWGVFKARVENGRAVAFEPWDKDPAPSHQLPGVLDSIYSPT
RIKYPMVRREFLEKGVNADRSTRGNGDFVRVTWDEALDLVARELKRVQES
YGPTGTFGGSYGWKSPGRLHNCQVLMRRALNLAGGFVNSSGDYSTAAAQI
IMPHVMGTLEVYEQQTAWPVVVENTDLMVFWAADPMKTNEIGWVIPDHGA
YAGMKALKEKGTRVICINPVRTETADYFGADVVSPRPQTDVALMLGMAHT
LYSEDLHDKDFLENCTTGFDLFAAYLTGESDGTPKTAEWAAEICGLPAEQ
IRELARSFVAGRTMLAAGWSIQRMHHGEQAHWMLVTLASMIGQIGLPGGG
FGLSYHYSNGGSPTSDGPALGGISDGGEGGATSIPCARVVDMLLNPGGEF
QFNGATATYPDVKLAYWAGGNPFAHHQDRNRMLKAWEKLETFIVQDFQWT
ATARHADIVLPATTSYERNDIESVGDYSNRAILAMKKVVDPLYEARSDYD
IFAALAERLGKGAEFTEGRDEMGWISSFYEAAVKQAEFKNVAMPSFEDFW
SEGIVEFPITEGANFVRYADFREDPLFNPLGTPSGLIEIYSKNIEKMGYD
DCPAHPTWMEPAERLGGAGAKYPLHVVASHPKSRLHSQLNGTSLRDLYAV
AGHEPCLINPADAAARGIADGDVLRVFNDRGQILVGAKVSDAVMPGAIQI
YEGGWYDPLDPSEEGTLDKYGDVNVLSLDVGTSKLAQGNCGQTILADVEK
YAGAPVTVTVFDTPKGA
Ligand information
Ligand IDO
InChIInChI=1S/H2O/h1H2
InChIKeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
FormulaO
NameOXYGEN ATOM
ChEMBLCHEMBL1098659
DrugBankDB09145
ZINC
PDB chain1eu1 Chain A Residue 3002 [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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PDB1eu1 Crystal Structure of DMSO Reductase: Redox-linked Changes in Molybdopterin Coordination
Resolution1.3 Å
Binding residue
(original residue number in PDB)		Y114 D145 Y146 S147
Binding residue
(residue number reindexed from 1)		Y111 D142 Y143 S144
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y114 W116 D145 S147 T148 S357 Y360
Catalytic site (residue number reindexed from 1) Y111 W113 D142 S144 T145 S354 Y357
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:1eu1, PDBe:1eu1, PDBj:1eu1
PDBsum1eu1
PubMed
UniProtQ57366|DSTOR_CERSP Dimethyl sulfoxide/trimethylamine N-oxide reductase (Gene Name=dmsA)

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