Structure of PDB 5o4a Chain B Binding Site BS01

Receptor Information
>5o4a Chain B (length=291) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSEYELPEDPRWELPRDRLVLGKPLGEGAFGQVVLAEAIGLDKPNRVTKV
AVKMLKSDATEKDLSDLISEMEMMKMIGKHKNIINLLGACTQDGPLYVIV
EYASKGNLREYLQARRPPGLEYSYEEQLSSKDLVSCAYQVARGMEYLASK
KCIHRDLAARNVLVTEDNVMKIADFGLHIDYYKKTTNGRLPVKWMAPEAL
FDRIYTHQSDVWSFGVLLWEIFTLGGSPYPGVPVEELFKLLKEGHRMDKP
SNCTNELYMMMRDCWHAVPSQRPTFKQLVEDLDRIVALTSN
Ligand information
Ligand ID9K8
InChIInChI=1S/C19H20FN5O7S/c1-2-9-3-4-10(5-12(9)33(20,29)30)19(28)31-6-11-14(26)15(27)18(32-11)25-8-24-13-16(21)22-7-23-17(13)25/h3-5,7-8,11,14-15,18,26-27H,2,6H2,1H3,(H2,21,22,23)/t11-,14-,15-,18-/m1/s1
InChIKeyBSCRHVZAWVIUPR-XKLVTHTNSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCc1ccc(cc1[S](F)(=O)=O)C(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N)ncnc34
OpenEye OEToolkits 2.0.6CCc1ccc(cc1S(=O)(=O)F)C(=O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
OpenEye OEToolkits 2.0.6CCc1ccc(cc1S(=O)(=O)F)C(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O
CACTVS 3.385CCc1ccc(cc1[S](F)(=O)=O)C(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
FormulaC19 H20 F N5 O7 S
Name[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate
ChEMBL
DrugBank
ZINC
PDB chain5o4a Chain B Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5o4a A study of the reactivity of S(VI)-F containing warheads with nucleophilic amino-acid side chains under physiological conditions.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		L484 G485 E486 G490 A512 K514 Y563 A564 L630 D641
Binding residue
(residue number reindexed from 1)		L25 G26 E27 G31 A51 K53 Y102 A103 L163 D174
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D623 A625 R627 N628 D641
Catalytic site (residue number reindexed from 1) D156 A158 R160 N161 D174
Enzyme Commision number 2.7.10.1: receptor protein-tyrosine kinase.
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0005007 fibroblast growth factor receptor activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5o4a, PDBe:5o4a, PDBj:5o4a
PDBsum5o4a
PubMed29119993
UniProtP11362|FGFR1_HUMAN Fibroblast growth factor receptor 1 (Gene Name=FGFR1)

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