Structure of PDB 6rz4 Chain A Binding Site BS01

Receptor Information
>6rz4 Chain A (length=395) Species: 562,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SATCHDTIDDFRNQVYSTLYSMISVVGFFGNGFVLYVLIKTYHKKSAFQV
YMINLAVADLLCVCTLPLRVVYYVHKGIWLFGDFLCRLSTYALYVNLYCS
IFFMTAMSFFRCIAIVFPVQNINLVTQKKARFVCVGIWIFVILTSSPFLM
AKPQKDEKNNTKCFEPPQDNQTKNHVLVLHYVSLFVGFIIPFVIIIVCYT
MIILTLLKKSMKSADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAA
LDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEA
QAAAEQLKTTRNAYIQKYLLSSHKKAIGMIMVVTAAFLVSFMPYHIQRTI
HLHFLHNETKPCDSVLRMQKSVVITLSLAASNCCFDPLLYFFSGG
Ligand information
Ligand IDKNT
InChIInChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)
InChIKeyNBQKINXMPLXUET-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3OC(=CC4=O)c5[nH]nnn5
CACTVS 3.385O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4
FormulaC27 H23 N5 O4
Namepranlukast
ChEMBLCHEMBL21333
DrugBankDB01411
ZINCZINC000001542146
PDB chain6rz4 Chain A Residue 2001 [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]
PDB6rz4 Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y104 Y108 F158 F174 P176 L189 S193 R253 H256 L257 L281
Binding residue
(residue number reindexed from 1)		Y94 Y98 F148 F164 P166 L179 S183 R348 H351 L352 L376
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004974 leukotriene receptor activity
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0022900 electron transport chain
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rz4, PDBe:6rz4, PDBj:6rz4
PDBsum6rz4
PubMed31633023
UniProtP0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
Q9Y271

[Back to BioLiP]