5CSX Chain A
Serine/threonine-protein kinase B-raf (BRAF)
Inactive — 9.9%DFG-outαC-outType1.5_Back · 54J
Resolution
2.51 Å
R-value
0.223
Predicted activity confidence9.9%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
DDWEIPDGQITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHASETKFEMKKLIDIARQTARGMDYLHAKSIIHRDLKSNNIFLHEDNTVKIGDFGLATVKSRSGSILWMAPEVIRMQDPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIEMVGRGSLSPDLSKVRSNCPKRMKRLMAECLKKKRDERPSFPRILAEIEELARE
UniProt reference sequence
ITVGQRIGSGSFGTVYKGKWHGDVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHIIETKFEMIKLIDIARQTAQGMDYLHAKSIIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIEL
Aligned reference sequence
ITVG----------------QRIGSGS----------------FGTVYKGKW-----------------------------------------HGDVAVKMLN--VTAPTPQQ--------------------------LQAFKNEVGVLRKT--------------------------RHVNILLFMGYSTKP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QLAIVTQWCEG--------------SSLYHHLHI--IET------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFEMIKLIDIARQTAQGMDYLHAK---------------------------------------------SIIHRDL-----KSNNIFLHE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLTVKIGDFGLATVKSRWSGS--HQF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EQLSGSILWMAPEVIRM--QDK---------------------------NPYS-FQSDVYAFGIVLYELMTG-----------------QLPYSN--I-----------------------------------------------NNRDQIIFMVGRG--YLSPDLSKVRSNCP-------------------------------------------------------------------------------------------------KAMKRLMAECLKKKRDERPL--------------FPQILASIEL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
ITVG----------------QRIGSGS----------------FGTVYKGKW-----------------------------------------HGDVAVKMLN--VTAPTPQQ--------------------------LQAFKNEVGVLRKT--------------------------RHVNILLFMGYSTKP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------QLAIVTQWCEG--------------SSLYHHLHA--SET------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFEMKKLIDIARQTARGMDYLHAK---------------------------------------------SIIHRDL-----KSNNIFLHE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DNTVKIGDFGLATVKSR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGSILWMAPEVIRM--QD-----------------------------PYS-FQSDVYAFGIVLYELMTG-----------------QLPYSN--I-----------------------------------------------NNRDQIIEMVGRG--SLSPDLSKVRSNCP-------------------------------------------------------------------------------------------------KRMKRLMAECLKKKRDERPS--------------FPRILAEIEE
Activation segment
DFGLATVKSR-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGSILWMAPE
Binding pocket
QRIGSGSFGTVYKVAVKMLAFKNEVGVLRKTRVNILLFMGYAIVTQWCEGSSLYHHLHAYLHAKSIIHRDLKSNNIFLIGDFGLA
Ligand info
Orthosteric ligand
54J
Allosteric ligand
None
Ligand typeType1.5_Back
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 5CSX, Chain A