2025-02-15_00000092
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ligand
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9BRG
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL055-22;
X-ray diffraction 2.70Å
Protein #1
598 residues (84% resolved)
Raw Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Canonical Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Non polymer #2
A1AQ6
InChI=1S/C29H25FN4O4/c1-15-24(31-17(3)26(15)34-29(37)25-5-4-12-38-25)14-22-21-13-19(8-11-23(21)33-28(22)36)27(35)32-16(2)18-6-9-20(30)10-7-18/h4-10,12-14,16,31H,11H2,1-3H3,(H,32,35)(H,34,37)/b22-14-/t16-/m1/s1
InChI=1S/C29H25FN4O4/c1-15-24(31-17(3)26(15)34-29(37)25-5-4-12-38-25)14-22-21-13-19(8-11-23(21)33-28(22)36)27(35)32-16(2)18-6-9-20(30)10-7-18/h4-10,12-14,16,31H,11H2,1-3H3,(H,32,35)(H,34,37)/b22-14-/t16-/m1/s1
SMILES: Cc1c([nH]c(c1NC(=O)c2ccco2)C)/C=C3/C4=CC(=CCC4=NC3=O)C(=O)N[C@H](C)c5ccc(cc5)F
Cc1c([nH]c(c1NC(=O)c2ccco2)C)/C=C3/C4=CC(=CCC4=NC3=O)C(=O)N[C@H](C)c5ccc(cc5)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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