Structure of PDB 6wxu Chain A Binding Site BS01

Receptor Information
>6wxu Chain A (length=834) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSISWEVQRFDGWYNNLMEHRWGSKGSRLQRLVPASYADGVYQPLKEPYL
PNPRHLSNRVMRGSAGQPSLRNRTVLGVFFGYHVLSDLVSVETPGCPAEF
LNIYIPHGDPVFDPDKRGNVVLPFQRSRWDRNTGQSPSNPRDQSNQVTGW
LDGSAIYGSSHSWSDTLRSFSGGQLASGPDPAFPSDSQSSLLMWMAPDPS
TGQGGPRGVYAFGAQRGNREPFLQALGLLWFRYHNLCARKLAQEHPHWGD
EELFQHARKRVIATYQNIAMYEWLPSFLKQTPPEYPGYRPFLDPSISPEF
VVASEQFLSTMVPSGVYMRNASCHFQGISGALRVCNSYWSREHPKLQRAE
DVDALLLGMASQIAEREDHVVVEDMQDFWPGPLKFSRTDYLASCLQRGRD
LGLPSYTKAREALGLSPISHWQDINPALSRSNGTVLEATAALYNQDLSRL
ELLPGGLLESHGDPGPLFSTIVLDQFVRLRDGDRYWFENTRNGLFSKEEI
AEIRNTSLRDILVAVTNVDPSALQPNVFFWLAGDPCPQPSQLSAKGLPAC
APLFIRDYFEGSGFGFGLTIGTLCCFPLVSLLSAWIVARLRKRTVQQFKR
FIENYRRHIGCVAVFYTITGALFLERAYYYAFAAHHSGITDTTRVGIILS
RGTAASISFMFSYILLTMCRNLITFLRETFLNRYIPFDAAVDFHRLIAST
AIILTVLHSAGHVVNVYLFSISPLSVLSCLFPGLFHDDGSEFPQKYYWWF
FQTVPGLTGVLLLLALAIMYVFASHHFRRRSFRGFWLTHHLYIFLYILLI
IHGSFALIQMPRFHIFFLVPAIIYVGDKLVSLSR
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6wxu Chain F Residue 6 [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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PDB6wxu Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D61 Q157
Binding residue
(residue number reindexed from 1)		D39 Q135
Annotation score1
Enzymatic activity
Enzyme Commision number 1.6.3.1: NAD(P)H oxidase (H2O2-forming).
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
Biological Process
GO:0006979 response to oxidative stress

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6wxu, PDBe:6wxu, PDBj:6wxu
PDBsum6wxu
PubMed32929281
UniProtA2AQ92

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