2025-11-08_00000025
|
ligand
|
9BRM
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL077-22;
X-ray diffraction 2.73Å
Protein #1
598 residues (84% resolved)
Raw Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Canonical Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Non polymer #2
A1ARC
InChI=1S/C32H36N4O5/c1-18-27(34-20(3)29(18)32(40)33-17-28(37)22-11-13-41-14-12-22)16-25-24-15-23(9-10-26(24)36-31(25)39)30(38)35-19(2)21-7-5-4-6-8-21/h4-9,15-16,19,22,28,34,37H,10-14,17H2,1-3H3,(H,33,40)(H,35,38)/b25-16-/t19-,28-/m1/s1
InChI=1S/C32H36N4O5/c1-18-27(34-20(3)29(18)32(40)33-17-28(37)22-11-13-41-14-12-22)16-25-24-15-23(9-10-26(24)36-31(25)39)30(38)35-19(2)21-7-5-4-6-8-21/h4-9,15-16,19,22,28,34,37H,10-14,17H2,1-3H3,(H,33,40)(H,35,38)/b25-16-/t19-,28-/m1/s1
SMILES: Cc1c([nH]c(c1C(=O)NC[C@H](C2CCOCC2)O)C)/C=C\3/C4=CC(=CCC4=NC3=O)C(=O)N[C@H](C)c5ccccc5
Cc1c([nH]c(c1C(=O)NC[C@H](C2CCOCC2)O)C)/C=C\3/C4=CC(=CCC4=NC3=O)C(=O)N[C@H](C)c5ccccc5
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%