2024-09-28_00000065
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hard
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8S5W
Cryo-EM structure of fedratinib-bound human SLC19A3 in inward-open state;
Electron microscopy 3.05Å
Protein #1
140 residues (87% resolved)
Raw Sequence ...
QVQLVESGGGLVQPGDSLRLSCAASGRTFSINAMAWFRQAPGKEREYVAQISWTGGNTYYAESVKGRFTISRDNAKNTVYLQMISLKPEDTAVYYCAADSGGIRLGASRWNYWGQGTQVTVSSGRASSSSHHHHHHEPEA
Canonical Sequence ...
QVQLVESGGGLVQPGDSLRLSCAASGRTFSINAMAWFRQAPGKEREYVAQISWTGGNTYYAESVKGRFTISRDNAKNTVYLQMISLKPEDTAVYYCAADSGGIRLGASRWNYWGQGTQVTVSSGRASSSSHHHHHHEPEA
Protein #2
535 residues (71% resolved)
Raw Sequence ...
MDCYRTSLSSSWIYPTVILCLFGFFSMMRPSEPFLIPYLSGPDKQLTSAEITNEIFPVWTYSYLVLLLPVFVLTDYVRYKPVIILQGISFIITWLLLLFGQGVKTMQVVEFFYGMVTAAEVAYYAYIYSVVSPEHYQRVSGYCRSVTLAAYTAGSVLAQLLVSLAQMSYFYLNVISLASVSVAFLFSLFLPMPKKSMFFHAKPSREIKKSSSVNPVLEETHEGEAPGCEEQKPTSEILSTSGKLNKGQLNSLKPSNVTVDVFVQWFQDLKECYSSKRLFYWSLWWAFATAGFNQVLNYVQILWDYKAPSQDSSIYNGAVEAIATFGGAVAAFAVGYVKVNWDLLGELALVVFSVVNAGSLFLMHYTANIWACYAGYLIFKSSYMLLITIAVFQIAVNLNVERYALVFGINTFIALVIQTIMTVIVVDQRGLNLPVSIQFLVYGSYFAVIAGIFLMRSMYITYSTKSQKDVQSPAPSENPDVSHPEEESNIIMSTKLLEVLFQGPSSGWSHPQFEKGGGSGGGSGGSAWSHPQFEK
Canonical Sequence ...
MDCYRTSLSSSWIYPTVILCLFGFFSMMRPSEPFLIPYLSGPDKQLTSAEITNEIFPVWTYSYLVLLLPVFVLTDYVRYKPVIILQGISFIITWLLLLFGQGVKTMQVVEFFYGMVTAAEVAYYAYIYSVVSPEHYQRVSGYCRSVTLAAYTAGSVLAQLLVSLAQMSYFYLNVISLASVSVAFLFSLFLPMPKKSMFFHAKPSREIKKSSSVNPVLEETHEGEAPGCEEQKPTSEILSTSGKLNKGQLNSLKPSNVTVDVFVQWFQDLKECYSSKRLFYWSLWWAFATAGFNQVLNYVQILWDYKAPSQDSSIYNGAVEAIATFGGAVAAFAVGYVKVNWDLLGELALVVFSVVNAGSLFLMHYTANIWACYAGYLIFKSSYMLLITIAVFQIAVNLNVERYALVFGINTFIALVIQTIMTVIVVDQRGLNLPVSIQFLVYGSYFAVIAGIFLMRSMYITYSTKSQKDVQSPAPSENPDVSHPEEESNIIMSTKLLEVLFQGPSSGWSHPQFEKGGGSGGGSGGSAWSHPQFEK
Non polymer #3
2TA
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
SMILES: Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Biounit #1
hetero-1-1-mer
Download coordinates
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Model
Reference
100%