Structure of PDB 1a3l Chain H Binding Site BS01

Receptor Information
>1a3l Chain H (length=218) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLEESGPELVRPGTSVKISCKASGYTFTNYWLGWVKQRPGHGFEWIGD
IYPGGVYTTNNEKFRGKAILTADTSSSTAYMQLSSLTSEDSAVYFCARAG
GYYTGGDYWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKG
YFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVT
CNVAHPASSTKVDKKIVP
Ligand information
Ligand IDCFC
InChIInChI=1S/C8H10NO.C6H5O2.Fe/c1-9(2)8(10)7-5-3-4-6-7;7-6(8)5-3-1-2-4-5;/h3-6H,1-2H3;1-4H,(H,7,8);
InChIKeyQUKRDAUIFVLNSE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CN(C)C(=O)C12C3[Fe]1456789(C3C4C52)C1C6C7C8(C91)C(=O)O
OpenEye OEToolkits 1.5.0CN(C)C(=O)C12[C@@H]3[Fe]1456789([C@@H]3[C@H]4[C@H]52)[C@H]1[C@@H]6[C@@H]7C8([C@@H]91)C(=O)O
CACTVS 3.341[Fe]|1|2|3|4|5|6|7|8(|[CH]9[CH]|1[CH]|2[C]|3([CH]|49)C(O)=O)|[CH]%10[CH]|5[CH]|6[C]|7([CH]|8%10)C(=O)N(C)C
FormulaC14 H15 Fe N O3
Name1-CARBOXY-1'-[(DIMETHYLAMINO)-CARBONYL]FERROCENE
ChEMBL
DrugBank
ZINC
PDB chain1a3l Chain L Residue 213 [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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PDB1a3l An antibody exo Diels-Alderase inhibitor complex at 1.95 angstrom resolution.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G35 V37 W47 D50
Binding residue
(residue number reindexed from 1)		G35 V37 W47 D50
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1a3l, PDBe:1a3l, PDBj:1a3l
PDBsum1a3l
PubMed9506943
UniProtP01869|IGH1M_MOUSE Ig gamma-1 chain C region, membrane-bound form (Gene Name=Ighg1)

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