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Structure of PDB 1c1e Chain H Binding Site BS01

Receptor Information
>1c1e Chain H (length=219) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIQLVQSGPELKKPGETVKISCKASGYMFTNYGMNWVKQAPGKALKLMGW
INPYTGESTFADDFKGRFAFFLETSATTAYLQINNLKNEDMATYFCARGT
TIVRAMDYWGQGTSLTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVT
CNVAHPASSTKVDKKIVPR
Ligand information
Ligand IDENH
InChIInChI=1S/C10H5Cl6NO2/c1-17-6(18)2-3(7(17)19)9(14)5(12)4(11)8(2,13)10(9,15)16/h2-3H,1H3/t2-,3+,8+,9-
InChIKeyDKILHSLDAKXHHE-ASQNABRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CN1C(=O)[CH]2[CH](C1=O)[C]3(Cl)C(=C(Cl)[C]2(Cl)C3(Cl)Cl)Cl
ACDLabs 10.04ClC1=C(Cl)C3(Cl)C(Cl)(Cl)C1(Cl)C2C(=O)N(C(=O)C23)C
OpenEye OEToolkits 1.5.0CN1C(=O)[C@H]2[C@@H](C1=O)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
CACTVS 3.341CN1C(=O)[C@@H]2[C@H](C1=O)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl
OpenEye OEToolkits 1.5.0CN1C(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
FormulaC10 H5 Cl6 N O2
Name1,7,8,9,10,10-HEXACHLORO-4-METHYL-4-AZA-TRICYCLO[5.2.1.0(2,6)]DEC-8-ENE-3,5-DIONE
ChEMBL
DrugBank
ZINCZINC000002047320
PDB chain1c1e Chain H Residue 703 [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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PDB1c1e Evolution of shape complementarity and catalytic efficiency from a primordial antibody template.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G33 N35 W50 G95 T96 T97 R100 A100A M100B
Binding residue
(residue number reindexed from 1)		G33 N35 W50 G99 T100 T101 R104 A105 M106
Annotation score1
External links

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