Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T47101 | Target Info | |||
| Target Name | Fibroblast growth factor receptor 1 (FGFR1) | ||||
| Synonyms | c-fgr; bFGF-R-1; bFGF-R; N-sam; HBGFR; Fms-like tyrosine kinase 2; FLT2; FLT-2; FLG; FGFR-1; FGFBR; CEK; CD331 antigen; CD331; Basic fibroblast growth factor receptor 1; BFGFR | ||||
| Target Type | Successful Target | ||||
| Gene Name | FGFR1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | TKI258 | Ligand Info | |||
| Canonical SMILES | CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N | ||||
| InChI | 1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29) | ||||
| InChIKey | PIQCTGMSNWUMAF-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 135398510 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5A46 FGFR1 in complex with dovitinib | ||||||
| Method | X-ray diffraction | Resolution | 2.63 Å | Mutation | No | [1] |
| PDB Sequence |
ELPEDPRWEL
473 PRDRLVLGKP483 LGEGCFGQVV493 LAEAIGLDKD503 KPNRVTKVAV513 KMLKSDATEK 523 DLSDLISEME533 MMKMIGKHKN543 IINLLGACTQ553 DGPLYVIVEY563 ASKGNLREYL 573 QARRPPGLEE593 QLSSKDLVSC603 AYQVARGMEY613 LASKKCIHRD623 LAARNVLVTE 633 DNVMKIADFG643 LARDIDYYKK656 TTNGRLPVKW666 MAPEALFDRI676 YTHQSDVWSF 686 GVLLWEIFTL696 GGSPYPGVPV706 EELFKLLKEG716 HRMDKPSNCT726 NELYMMMRDC 736 WHAVPSQRPT746 FKQLVEDLDR756 IVALTSNQEY766
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| PDB ID: 5AM6 Native FGFR1 with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [2] |
| PDB Sequence |
VAGVSEYELP
466 EDPRWELPRD476 RLVLGKPLGE486 GQVVLAEAIG499 LDKDKPNRVT509 KVAVKMLKSD 519 ATEKDLSDLI529 SEMEMMKMIG539 KHKNIINLLG549 ACTQDGPLYV559 IVEYASKGNL 569 REYLQARRPP579 GEEQLSSKDL600 VSCAYQVARG610 MEYLASKKCI620 HRDLAARNVL 630 VTEDNVMKIA640 DFGLARDIHH650 IDYYKKTTNG660 RLPVKWMAPE670 ALFDRIYTHQ 680 SDVWSFGVLL690 WEIFTLGGSP700 YPGVPVEELF710 KLLKEGHRMD720 KPSNCTNELY 730 MMMRDCWHAV740 PSQRPTFKQL750 VEDLDRIVAL760 TSNQE
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| PDB ID: 5AM7 FGFR1 mutant with an inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [2] |
| PDB Sequence |
AGVSEYELPE
467 DPRWELPRDR477 LVLGKPLGEG490 QVVLAEAIGL500 DKDKPNRVTK510 VAVKMLKSDA 520 TEKDLSDLIS530 EMEMMKMIGK540 HKNIINLLGA550 CTQDGPLYVI560 MEYASKGNLR 570 EYLQARRPPG580 PEEQLSSKDL600 VSCAYQVARG610 MEYLASKKCI620 HRDLAARNVL 630 VTEDNVMKIA640 DFGLARDIHH650 IDYYKKTTNG660 RLPVKWMAPE670 ALFDRIYTHQ 680 SDVWSFGVLL690 WEIFTLGGSP700 YPGVPVEELF710 KLLKEGHRMD720 KPSNCTNELY 730 MMMRDCWHAV740 PSQRPTFKQL750 VEDLDRIVAL760 TSNQ
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural and dynamic insights into the energetics of activation loop rearrangement in FGFR1 kinase. Nat Commun. 2015 Jul 23;6:7877. | ||||
| REF 2 | The Effect of Mutations on Drug Sensitivity and Kinase Activity of Fibroblast Growth Factor Receptors: A Combined Experimental and Theoretical Study. EBioMedicine. 2015 Mar 1;2(3):194-204. | ||||
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