2025-02-15_00000094
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ligand
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9BRI
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL064-22;
X-ray diffraction 2.90Å
Protein #1
598 residues (84% resolved)
Raw Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Canonical Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Non polymer #2
A1AQ8
InChI=1S/C29H27FN4O5/c1-14-23(31-16(3)26(14)34-29(38)24-10-11-25(35)39-24)13-21-20-12-18(6-9-22(20)33-28(21)37)27(36)32-15(2)17-4-7-19(30)8-5-17/h4-9,12-13,15,24,31H,10-11H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)/b21-13-/t15-,24+/m1/s1
InChI=1S/C29H27FN4O5/c1-14-23(31-16(3)26(14)34-29(38)24-10-11-25(35)39-24)13-21-20-12-18(6-9-22(20)33-28(21)37)27(36)32-15(2)17-4-7-19(30)8-5-17/h4-9,12-13,15,24,31H,10-11H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)/b21-13-/t15-,24+/m1/s1
SMILES: Cc1c([nH]c(c1NC(=O)[C@@H]2CCC(=O)O2)C)/C=C3/c4cc(ccc4NC3=O)C(=O)N[C@H](C)c5ccc(cc5)F
Cc1c([nH]c(c1NC(=O)[C@@H]2CCC(=O)O2)C)/C=C3/c4cc(ccc4NC3=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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