3Q4T Chain B
Activin receptor type-2A (ACVR2A)
Active — 99.9%DFG-inαC-inType1 · TAK
Resolution
1.96 Å
R-value
0.171
Predicted activity confidence99.9%
Structure info
Alternate conformationB
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
SGVDLGTENLYFQSMPLQLLEVKARGRFGCVWKAQLLNEYVAVKIFPIQDKQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVDVDLWLITAFHEKGSLSDFLKANVVSWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEAGKSATHGQVGTRRYMAPEVLEGAINFQRDAFLRIDMYAMGLVLWELASRCTAADGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQKHAGMAMLCETIEECWDHDAEARLSAGCVGERITQMQRL
UniProt reference sequence
LQLLEVKARGRFGCVWKAQLLNEYVAVKIFPIQDKQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVDVDLWLITAFHEKGSLSDFLKANVVSWNELCHIAETMARGLAYLHEDIPGLKDGHKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEAGKSAGDTHGQVGTRRYMAPEVLEGAINFQRDAFLRIDMYAMGLVLWELASRCTAADGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQKHAGMAMLCETIEECWDHDAEARLSAGCVGERITQ
Aligned reference sequence
LQLL----------------EVKARGR----------------FGCVWKAQL----------------------------------------LNEYVAVKIFP--IQD-------------------------------KQSWQNEYEVYSLP--GM----------------------KHENILQFIGAEKRGT--SVDV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLWLITAFHEK--------------GSLSDFLKA--N--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVSWNELCHIAETMARGLAYLHED--IP-GLKDGHKP--------------------------------AISHRDI-----KSKNVLLKN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLTACIADFGLALKFEAGKSA--GDT-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HGQVGTRRYMAPEVLEG--AINFQ-------------------------RDAF-LRIDMYAMGLVLWELASR--CTAADGPVDEY----MLPFEE--EIGQH-------------------------------------------PSLEDMQEVVVHK--KKRPVLRDYWQKHAGM-----------------------------------------------------------------------------------------------AMLCETIEECWDHDAEARLS--------------AGCVGERITQ
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
LQLL----------------EVKARGR----------------FGCVWKAQL----------------------------------------LNEYVAVKIFP--IQD-------------------------------KQSWQNEYEVYSLP--GM----------------------KHENILQFIGAEKRGT--SVDV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DLWLITAFHEK--------------GSLSDFLKA--N--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VVSWNELCHIAETMARGLAYLHED--IP-GLKDGHKP--------------------------------AISHRDI-----KSKNVLLKN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLTACIADFGLALKFEAGKSA----T-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HGQVGTRRYMAPEVLEG--AINFQ-------------------------RDAF-LRIDMYAMGLVLWELASR--CTAADGPVDEY----MLPFEE--EIGQH-------------------------------------------PSLEDMQEVVVHK--KKRPVLRDYWQKHAGM-----------------------------------------------------------------------------------------------AMLCETIEECWDHDAEARLS--------------AGCVGERITQ
Activation segment
DFGLALKFEAGKSA----T-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HGQVGTRRYMAPE
Binding pocket
EVKARGRFGCVWKVAVKIFSWQNEYEVYSLPGENILQFIGAWLITAFHEKGSLSDFLKADGHKPAISHRDIKSKNVLLIADFGLA
Ligand info
Orthosteric ligand
TAK
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3Q4T, Chain B