8CDW Chain A
Mitogen-activated protein kinase kinase kinase kinase 1 (MAP4K1)
Inactive — 2.1%DFG-outαC-outType1 · UES
Resolution
1.941 Å
R-value
0.229
Predicted activity confidence2.1%
Structure info
Alternate conformationB
Missing atoms0
Missing residues3
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
DIFNRDPRDHYDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFAQIGAELARRLEFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLVSQPGLNRGLILDLLDKLKNP
UniProt reference sequence
YDLLQRLGGGTYGEVFKARDKVSGDLVALKMVKMEPDDDVSTLQKEILILKTCRHANIVAYHGSYLWLQKLWICMEFCGAGSLQDIYQVTGSLSELQISYVCREVLQGLAYLHSQKKIHRDIKGANILINDAGEVRLADFGISAQIGATLARRLSFIGTPYWMAPEVAAVALKGGYNELCDIWSLGITAIELAELQPPLFDVHPLRVLFLMTKSGYQPPRLKEKGKWSAAFHNFIKVTLTKSPKKRPSATKMLSHQLV
Aligned reference sequence
YDLL----------------QRLGGGT----------------YGEVFKARD--KV------------------------------------SGDLVALKMVK--MEPDDD----------------------------VSTLQKEILILKTC--------------------------RHANIVAYHGSYLWLQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLWICMEFCGA--------------GSLQDIYQV--TG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLSELQISYVCREVLQGLAYLHSQ---------------------------------------------KKIHRDI-----KGANILIND--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGEVRLADFGISAQIGATLAR--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LSFIGTPYWMAPEVAAV--ALK---------------------------GGYN-ELCDIWSLGITAIELAEL-----------------QPPLFD--------------------------------------------------VHPLRVLFLMTKS--GYQPPRLKEKGKWS-------------------------------------------------------------------------------------------------AAFHNFIKVTLTKSPKKRPS--------------ATKMLSHQLV
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YDLL----------------QRLGGGT----------------YGEVFKARD--KV------------------------------------SGDLVALKMVK--MEPDDD----------------------------VSTLQKEILILKTC--------------------------RHANIVAYHGSYLWLQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLWICMEFCGA--------------GSLQDIYQV--TG-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SLSELQISYVCREVLQGLAYLHSQ---------------------------------------------KKIHRDI-----KGANILIND--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AGEVRLADF---AQIGAELAR--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LEFIGTPYWMAPEVAAV--ALK---------------------------GGYN-ELCDIWSLGITAIELAEL-----------------QPPLFD--------------------------------------------------VHPLRVLFLMTKS--GYQPPRLKEKGKWS-------------------------------------------------------------------------------------------------AAFHNFIKVTLTKSPKKRPS--------------ATKMLSHQLV
Activation segment
DF---AQIGAELAR--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LEFIGTPYWMAPE
Binding pocket
QRLGGGTYGEVFKVALKMVTLQKEILILKTCRANIVAYHGSWICMEFCGAGSLQDIYQVYLHSQKKIHRDIKGANILILADF___
Ligand info
Orthosteric ligand
UES
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 8CDW, Chain A