2025-01-11_00000130
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ligand
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8XQ1
Crystal structure of spleen tyrosine kinase(SYK) in complex with SKI-G-1673;
X-ray diffraction 1.50Å
Protein #1
290 residues (91% resolved)
Raw Sequence ...
EEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVNLEHHHHHHHH
Canonical Sequence ...
EEIRPKEVYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQTHGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYDVVNLEHHHHHHHH
Non polymer #2
A1LV6
InChI=1S/C26H30N8O3/c1-15-17(10-33-13-21(35)22(14-33)37-3)11-34(31-15)23-6-7-27-26(30-23)29-18-8-19-20(24(36)16-4-5-16)12-32(2)25(19)28-9-18/h6-9,11-12,16,21-22,35H,4-5,10,13-14H2,1-3H3,(H,27,29,30)/t21-,22+/m0/s1
InChI=1S/C26H30N8O3/c1-15-17(10-33-13-21(35)22(14-33)37-3)11-34(31-15)23-6-7-27-26(30-23)29-18-8-19-20(24(36)16-4-5-16)12-32(2)25(19)28-9-18/h6-9,11-12,16,21-22,35H,4-5,10,13-14H2,1-3H3,(H,27,29,30)/t21-,22+/m0/s1
SMILES: Cc1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C)C(=O)C5CC5)CN6C[C@@H]([C@@H](C6)OC)O
Cc1c(cn(n1)c2ccnc(n2)Nc3cc4c(cn(c4nc3)C)C(=O)C5CC5)CN6C[C@@H]([C@@H](C6)OC)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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