Structure of PDB 5rzc Chain A Binding Site BS01

Receptor Information
>5rzc 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 IDO0P
InChIInChI=1S/C8H11FN2O2S/c1-11(14(10,12)13)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3,(H2,10,12,13)
InChIKeyMTNUKOMLMCLFRR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN(Cc1cccc(c1)F)S(=O)(=O)N
CACTVS 3.385CN(Cc1cccc(F)c1)[S](N)(=O)=O
ACDLabs 12.01NS(N(C)Cc1cc(ccc1)F)(=O)=O
FormulaC8 H11 F N2 O2 S
NameN-[(3-fluorophenyl)methyl]-N-methylsulfuric diamide
ChEMBL
DrugBank
ZINCZINC000036924412
PDB chain5rzc 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

[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]
PDB5rzc EPB41L3 PanDDA analysis group deposition
Resolution1.75 Å
Binding residue
(original residue number in PDB)		W334 V337 L338 I340 W377 V381 H384
Binding residue
(residue number reindexed from 1)		W228 V231 L232 I234 W271 V275 H278
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:5rzc, PDBe:5rzc, PDBj:5rzc
PDBsum5rzc
PubMed
UniProtQ9Y2J2|E41L3_HUMAN Band 4.1-like protein 3 (Gene Name=EPB41L3)

[Back to BioLiP]