2025-02-15_00000095
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ligand
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9BRJ
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL093-22;
X-ray diffraction 2.80Å
Protein #1
598 residues (84% resolved)
Raw Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Canonical Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Non polymer #2
A1AQ9
InChI=1S/C33H29FN6O3/c1-17-27(35-19(3)29(17)39-33(43)30-20(4)36-28-7-5-6-14-40(28)30)16-25-24-15-22(10-13-26(24)38-32(25)42)31(41)37-18(2)21-8-11-23(34)12-9-21/h5-12,14-16,18,35H,13H2,1-4H3,(H,37,41)(H,39,43)/b25-16-/t18-/m1/s1
InChI=1S/C33H29FN6O3/c1-17-27(35-19(3)29(17)39-33(43)30-20(4)36-28-7-5-6-14-40(28)30)16-25-24-15-22(10-13-26(24)38-32(25)42)31(41)37-18(2)21-8-11-23(34)12-9-21/h5-12,14-16,18,35H,13H2,1-4H3,(H,37,41)(H,39,43)/b25-16-/t18-/m1/s1
SMILES: Cc1c([nH]c(c1NC(=O)c2c(nc3n2cccc3)C)C)/C=C4/C5=CC(=CCC5=NC4=O)C(=O)N[C@H](C)c6ccc(cc6)F
Cc1c([nH]c(c1NC(=O)c2c(nc3n2cccc3)C)C)/C=C4/C5=CC(=CCC5=NC4=O)C(=O)N[C@H](C)c6ccc(cc6)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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