Structure of PDB 5rz4 Chain A Binding Site BS02

Receptor Information
>5rz4 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 IDWH7
InChIInChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
InChIKeyBNJMFYUVZZATLR-SSDOTTSWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@@H](O)CNCc1c(Cl)cccc1Cl
OpenEye OEToolkits 2.0.7C[C@@H](CNCc1c(cccc1Cl)Cl)O
CACTVS 3.385C[CH](O)CNCc1c(Cl)cccc1Cl
OpenEye OEToolkits 2.0.7CC(CNCc1c(cccc1Cl)Cl)O
ACDLabs 12.01c1(c(cccc1Cl)Cl)CNCC(C)O
FormulaC10 H13 Cl2 N O
Name(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
ChEMBL
DrugBank
ZINCZINC000000576511
PDB chain5rz4 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5rz4 EPB41L3 PanDDA analysis group deposition
Resolution1.61 Å
Binding residue
(original residue number in PDB)		K113 I115 H181
Binding residue
(residue number reindexed from 1)		K7 I9 H75
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
View graph for
Cellular Component
External links
PDB RCSB:5rz4, PDBe:5rz4, PDBj:5rz4
PDBsum5rz4
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

[Back to BioLiP]