Structure of PDB 4las Chain H Binding Site BS01

Receptor Information
>4las Chain H (length=232) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQESGPSLVKPSQTLSLTCSVTGDSVTSGYWSWIRQFPGNKLDYMGY
ISYRGSTYYNPSLKSRISITRDTSKNQVYLQLKSVSSEDTATYYCSYFDS
DDYAMEYWGQGTSVTVSGGGGSQIVLTQSPAIMSASPGEKVTLTCSASSS
VSSSHLYWYQQKPGSSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISS
MEAEDAASYFCHQWSSFPFTFGSGTKLEIKRA
Ligand information
Ligand ID1WF
InChIInChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1
InChIKeySBUQZKJEOOQSBV-QMMMGPOBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(Cc1ccc(cc1)O)NC
OpenEye OEToolkits 1.7.6C[C@@H](Cc1ccc(cc1)O)NC
ACDLabs 12.01Oc1ccc(cc1)CC(NC)C
CACTVS 3.385CN[C@@H](C)Cc1ccc(O)cc1
CACTVS 3.385CN[CH](C)Cc1ccc(O)cc1
FormulaC10 H15 N O
Name4-[(2S)-2-(methylamino)propyl]phenol;
4-Hydroxymethamphetamine
ChEMBLCHEMBL2448863
DrugBank
ZINCZINC000000000615
PDB chain4las Chain H Residue 500 [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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PDB4las Structural characterization of a therapeutic anti-methamphetamine antibody fragment: oligomerization and binding of active metabolites.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		Y33 Y47 Y50 F98 E106 H212 W214 F219
Binding residue
(residue number reindexed from 1)		Y33 Y47 Y50 F98 E106 H212 W214 F219
Annotation score1
External links