Structure of PDB 5rzw Chain A Binding Site BS01

Receptor Information
>5rzw Chain A (length=284) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKSMQCKVILLDGSEYTCDVEKRSRGQVLFDKVCEHLNLLEKDYFGLTYR
DAENQKNWLDPAKEIKKQVRSGAWHFSFNVKFYPPDPAQLSEDITRYYLC
LQLRDDIVSGRLPCSFVTLALLGSYTVQSELGDYDPDECGSDYISEFRFA
PNHTKELEDKVIELHKSHRGMTPAEAEMHFLENAKKLSMYGVDLHHAKDS
EGVEIMLGVCASGLLIYRDRLRINRFAWPKVLKISYKRNNFYIKIRPGEF
EQFESTIGFKLPNHRAAKRLWKVCVEHHTFFRLL
Ligand information
Ligand IDWJG
InChIInChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3
InChIKeyMXDBCXKVTJDKNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)C(c2ccccc2)N
CACTVS 3.385COc1ccc(cc1)[CH](N)c2ccccc2
OpenEye OEToolkits 2.0.7COc1ccc(cc1)[C@@H](c2ccccc2)N
CACTVS 3.385COc1ccc(cc1)[C@@H](N)c2ccccc2
ACDLabs 12.01c2(C(N)c1ccccc1)ccc(OC)cc2
FormulaC14 H15 N O
Name(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
ChEMBL
DrugBank
ZINC
PDB chain5rzw Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5rzw EPB41L3 PanDDA analysis group deposition
Resolution1.62 Å
Binding residue
(original residue number in PDB)		Q195 L196 L390
Binding residue
(residue number reindexed from 1)		Q89 L90 L284
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008092 cytoskeletal protein binding
Cellular Component
GO:0005856 cytoskeleton

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:5rzw, PDBe:5rzw, PDBj:5rzw
PDBsum5rzw
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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