2025-05-10_00000128
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ligand
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9BRF
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL004-21;
X-ray diffraction 2.84Å
Protein #1
598 residues (84% resolved)
Raw Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Canonical Sequence ...
MELENIVANTVLLKAREGGGGKRKGKSKKWKEILKFPHISQCEDLRRTIDRDYCSLCDKQPIGRLLFRQFCETRPGLECYIQFLDSVAEYEVTPDEKLGEKGKEIMTKYLTPKSPVFIAQVGQDLVSQTEEKLLQKPCKELFSACAQSVHEYLRGEPFHEYLDSMFFDRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKRLEKKRIKKRKGESMALNEKQILEKVNSQFVVNLAYAYETKDALCLVLTIMNGGDLKFHIYNMGNPGFEEERALFYAAEILCGLEDLHRENTVYRNLKPENILLDDYGHIRISDLGLAVKIPEGDLIRGRVGTVGYMAPEVLNNQRYGLSPDYWGLGCLIYEMIEGQSPFRGRKEKVKREEVDRRVLETEEVYSHKFSEEAKSICKMLLTKDAKQRLGCQEEGAAEVKRHPFFRNMNFKRLEAGMLDPPFVPDPRAVYCKDVLDIEQFSTVKGVNLDHTDDDFYSKFSTGSVSIPWQNEMIETECFKELNVFGPNGTLPPDLNRNHPPEPPKKGLLQRLFKRQHQNNSKSSPSSKTSFNHHINSNHVSSNSTGSSVDHHHHHH
Non polymer #2
A1AQ5
InChI=1S/C32H28N4O4/c1-18-27(33-20(3)28(18)36-32(40)29(37)22-12-8-5-9-13-22)17-25-24-16-23(14-15-26(24)35-31(25)39)30(38)34-19(2)21-10-6-4-7-11-21/h4-14,16-17,19,33H,15H2,1-3H3,(H,34,38)(H,36,40)/b25-17-/t19-/m1/s1
InChI=1S/C32H28N4O4/c1-18-27(33-20(3)28(18)36-32(40)29(37)22-12-8-5-9-13-22)17-25-24-16-23(14-15-26(24)35-31(25)39)30(38)34-19(2)21-10-6-4-7-11-21/h4-14,16-17,19,33H,15H2,1-3H3,(H,34,38)(H,36,40)/b25-17-/t19-/m1/s1
SMILES: Cc1c([nH]c(c1NC(=O)C(=O)c2ccccc2)C)/C=C3/C4=CC(=CCC4=NC3=O)C(=O)N[C@H](C)c5ccccc5
Cc1c([nH]c(c1NC(=O)C(=O)c2ccccc2)C)/C=C3/C4=CC(=CCC4=NC3=O)C(=O)N[C@H](C)c5ccccc5
Biounit #1
monomer
Download coordinates
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Model
Reference
100%