Structure of PDB 2j3u Chain E Binding Site BS01
Receptor Information
>2j3u Chain E (length=218) Species:
9606
(Homo sapiens) [
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NPCLTGPRTCKDLLDRGHFLSGWHTIYLPDCRPLTVLCDMDTDGGGWTVF
QRRVDGSVDFYRDWATYKQGFGSRLGEFWLGNDNIHALTAQGTSELRTDL
VDFEDNYQFAKYRSFKVADEAEKYNLVLGAFVEGSAGDSLTFHNNQSFST
KDQDNDLNTGNCAVMFQGAWWYKNCHTSNLNGRYLRGTHGSFANGINWKS
GKGYNYSYKVSEMKVRPA
Ligand information
Ligand ID
GLA
InChI
InChI=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
InChIKey
WQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILES
Software
SMILES
CACTVS 3.341
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341
OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(O)C(OC(O)C1O)CO
Formula
C6 H12 O6
Name
alpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBL
CHEMBL1233058
DrugBank
ZINC
ZINC000000901155
PDB chain
2j3u Chain E Residue 1289 [
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Receptor-Ligand Complex Structure
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PDB
2j3u
Structural Insights Into the Innate Immune Recognition Specificities of L- and H-Ficolins.
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
R132 D133 T136 K221
Binding residue
(residue number reindexed from 1)
R62 D63 T66 K151
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:2j3u
,
PDBe:2j3u
,
PDBj:2j3u
PDBsum
2j3u
PubMed
17215869
UniProt
Q15485
|FCN2_HUMAN Ficolin-2 (Gene Name=FCN2)
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