Structure of PDB 7d3e Chain B Binding Site BS01

Receptor Information
>7d3e Chain B (length=272) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGHTFPFYAGPKPTFPMDTTLASIIMIFLTALATFIVILPGIRGKTRLFW
LLRVVTSLFIGAAILAVNFSSEWSVGQVSTNTSYKAFSSEWISADIGLQV
GLGGVNITLTGTPVQQLNETINYNEEFTWRLGENYAEEYAKALEKGLPDP
VLYLAEKFTPRSPCGLYRQYRLAGHYTSAMLWVAFLCWLLANVMLSMPVL
VYGGYMLLATGIFQLLALLFFSMATSLTSPCPLHLGASVLHTHHGPAFWI
TLTTGLLCVLLGLAMAVAHRMQ
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 chain7d3e Chain E Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7d3e Structures of human dual oxidase 1 complex in low-calcium and high-calcium states.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y126 N127 E128 K148
Binding residue
(residue number reindexed from 1)		Y123 N124 E125 K145
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0008104 protein localization
GO:0010729 positive regulation of hydrogen peroxide biosynthetic process
GO:0015031 protein transport
GO:0042743 hydrogen peroxide metabolic process
GO:0045666 positive regulation of neuron differentiation
GO:0050727 regulation of inflammatory response
GO:2000379 positive regulation of reactive oxygen species metabolic process
GO:2000609 regulation of thyroid hormone generation
Cellular Component
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d3e, PDBe:7d3e, PDBj:7d3e
PDBsum7d3e
PubMed33420071
UniProtQ1HG43|DOXA1_HUMAN Dual oxidase maturation factor 1 (Gene Name=DUOXA1)

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