Structure of PDB 5rz2 Chain A Binding Site BS01

Receptor Information
>5rz2 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 IDWH1
InChIInChI=1S/C15H16N2O/c1-17(12-10-14-9-5-6-11-16-14)15(18)13-7-3-2-4-8-13/h2-9,11H,10,12H2,1H3
InChIKeyODNBJUNZVHSOQB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CN(CCc1ccccn1)C(=O)c2ccccc2
ACDLabs 12.01n1c(cccc1)CCN(C(=O)c2ccccc2)C
FormulaC15 H16 N2 O
NameN-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide
ChEMBL
DrugBank
ZINCZINC000000859193
PDB chain5rz2 Chain A Residue 401 [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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PDB5rz2 EPB41L3 PanDDA analysis group deposition
Resolution1.77 Å
Binding residue
(original residue number in PDB)		S318 L321 R331 A333
Binding residue
(residue number reindexed from 1)		S212 L215 R225 A227
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008092 cytoskeletal protein binding
Cellular Component
GO:0005856 cytoskeleton

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Molecular Function
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Cellular Component
External links
PDB RCSB:5rz2, PDBe:5rz2, PDBj:5rz2
PDBsum5rz2
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

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