2025-04-19_00000394
|
ligand
|
9U3N
Crystal structure of FGFR2 kinase domain gatekeeper mutant V564F in complex with compound LC-F2-01;
X-ray diffraction 3.25Å
Protein #1
311 residues (89% resolved)
Raw Sequence ...
PMLAGVSEYELPEDPKWEFPRDKLTLGKPLGEGCFGQVVMAEAVGIDKDKPKEAVTVAVKMLKDDATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIFEYASKGNLREYLRARRPPGMEYSYDINRVPEEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRILTLTTNEE
Canonical Sequence ...
PMLAGVSEYELPEDPKWEFPRDKLTLGKPLGEGCFGQVVMAEAVGIDKDKPKEAVTVAVKMLKDDATEKDLSDLVSEMEMMKMIGKHKNIINLLGACTQDGPLYVIFEYASKGNLREYLRARRPPGMEYSYDINRVPEEQMTFKDLVSCTYQLARGMEYLASQKCIHRDLAARNVLVTENNVMKIADFGLARDINNIDYYKKTTNGRLPVKWMAPEALFDRVYTHQSDVWSFGVLMWEIFTLGGSPYPGIPVEELFKLLKEGHRMDKPANCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRILTLTTNEE
Non polymer #2
A1ENT
InChI=1S/C25H20N8O/c1-4-20(34)31-17-8-6-16(7-9-17)22-18(21-23(26)28-13-29-25(21)33(22)3)10-5-15-11-19-24(27-12-15)32(2)14-30-19/h4,6-9,11-14H,1H2,2-3H3,(H,31,34)(H2,26,28,29)
InChI=1S/C25H20N8O/c1-4-20(34)31-17-8-6-16(7-9-17)22-18(21-23(26)28-13-29-25(21)33(22)3)10-5-15-11-19-24(27-12-15)32(2)14-30-19/h4,6-9,11-14H,1H2,2-3H3,(H,31,34)(H2,26,28,29)
SMILES: Cn1cnc2c1ncc(c2)C#Cc3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C=C)C)N
Cn1cnc2c1ncc(c2)C#Cc3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C=C)C)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%