Structure of PDB 6be6 Chain B Binding Site BS01

Receptor Information
>6be6 Chain B (length=431) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKNTCQLYIQTDHLFFKYYGTREAVIAQISSHVKAIDTIYQTTDFSGIRQ
ISFMVKRIRINTTADEKDPTNPFRFPNIGVEKFLELNSEQNHDDYCLAYV
FTDRDFDDGVLGLAWVGAPSGSSGGICEKSKLYSDGKKKSLNTGIITVQN
YGSHVPPKVSHITFAHEVGHNFGSPHDSGTECTPGESKNLGQKENGNYIM
YARATSGDKLNNNKFSLCSIRQISQVLEKKRNNCFVESGQPICGNGMVEQ
GEECDCGYSDQCKDECCFDANQPEGRKCKLKPGKQCSPSQGPCCTAQCAF
KSKSEKCRDDSDCAREGICNGFTALCPASDPKPQFTDCNRHTQVCINGQC
AGSICEKYGLEECTCAKELCHVCCMKKMDPSTCASTGSVQWSRHFSGRTI
TLQPGSPCNDFRGYCDVFMRCRLVDADGPLG
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 chain6be6 Chain F Residue 5 [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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PDB6be6 Structural Basis for Regulated Proteolysis by the alpha-Secretase ADAM10.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G353 K354
Binding residue
(residue number reindexed from 1)		G136 K137
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.24.81: ADAM10 endopeptidase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6be6, PDBe:6be6, PDBj:6be6
PDBsum6be6
PubMed29224781
UniProtO14672|ADA10_HUMAN Disintegrin and metalloproteinase domain-containing protein 10 (Gene Name=ADAM10)

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