Structure of PDB 6wxv Chain A Binding Site BS05

Receptor Information
>6wxv Chain A (length=1091) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNSISWEVQRFDGWYNNLMEHRWGSKGSRLQRLVPASYADGVYQPLKEPY
LPNPRHLSNRVMRGSAGQPSLRNRTVLGVFFGYHVLSDLVSVETPGCPAE
FLNIYIPHGDPVFDPDKRGNVVLPFQRSRWDRNTGQSPSNPRDQSNQVTG
WLDGSAIYGSSHSWSDTLRSFSGGQLASGPDPAFPSDSQSSLLMWMAPDP
STGQGGPRGVYAFGAQRGNREPFLQALGLLWFRYHNLCARKLAQEHPHWG
DEELFQHARKRVIATYQNIAMYEWLPSFLKQTPPEYPGYRPFLDPSISPE
FVVASEQFLSTMVPSGVYMRNASCHFQGSGALRVCNSYWSREHPKLQRAE
DVDALLLGMASQIAEREDHVVVEDMQDFWPGPLKFSRTDYLASCLQRGRD
LGLPSYTKAREALGLSPISHWQDINPALSRSNGTVLEATAALYNQDLSRL
ELLPGGLLESHGDPGPLFSTIVLDQFVRLRDGDRYWFENTRNGLFSKEEI
AEIRNTSLRDILVAVTNVDPSALQPNVFFWLAGDPCPQPSQLSAKGLPAC
APLFIRDYFEGSGFGFGLTIGTLCCFPLVSLLSAWIVARLRKRNHQTVQQ
FKRFIENYRRHIGCVAVFYTITGALFLERAYYYAFAAHHSGITDTTRVGI
ILSRGTAASISFMFSYILLTMCRNLITFLRETFLNRYIPFDAAVDFHRLI
ASTAIILTVLHSAGHVVNVYLFSISPLSVLSCLFPGLFHDDGSEFPQKYY
WWFFQTVPGLTGVLLLLALAIMYVFASHHFRRRSFRGFWLTHHLYIFLYI
LLIIHGSFALIQMPRFHIFFLVPAIIYVGDKLVSLSRKKVEISVVKAELL
PSGVTHLRFQRPQGFEYKSGQWVRIACLALGTTEYHPFTLTSAPHEDTLS
LHIRAAGPWTTRLREIYSPPRYPKLYLDGPFGEGHQEWHKFEVSVLVGGG
IGVTPFASILKDLVFKSSVSCCKKIYFIWVTRTQRQFEWLADIIREVEEN
DRQDLVSVHIYITQLAEKFDLRVLNRSLFTGLRSITHFGRPPFEPFFNSL
QEVHPQKIGVFSCGPPGMTKNVEKACQLINRQDFSHHYENF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6wxv Chain A Residue 1609 [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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PDB6wxv Structures of mouse DUOX1-DUOXA1 provide mechanistic insights into enzyme activation and regulation.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D109 T170 W172 S176
Binding residue
(residue number reindexed from 1)		D88 T149 W151 S155
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:6wxv, PDBe:6wxv, PDBj:6wxv
PDBsum6wxv
PubMed32929281
UniProtA2AQ92

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