6E9W Chain B
Rho-associated protein kinase 1 (ROCK1)
Active — 83.5%DFG-inαC-inType1 · J0P
Resolution
2.96 Å
R-value
0.197
Predicted activity confidence83.5%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
FETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEETFPIPKAFVGNQLPFVGFTYYS
UniProt reference sequence
YEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFF
Aligned reference sequence
YEVV----------------KVIGRGA----------------FGEVQLVRH--KS------------------------------------TRKVYAMKLLS--KFEMIKRSD-------------------------SAFFWEERDIMAFA--------------------------NSPWVVQLFYAFQDDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLYMVMEYMPG--------------GDLVNLMSN--Y--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVPEKWARFYTAEVVLALDAIHSM---------------------------------------------GFIHRDV-----KPDNMLLDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGHLKLADFGTCMKMNKEGMV--RC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTAVGTPDYISPEVLKS--QGGD--------------------------GYYG-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMNH--KNSLTFPDDNDIS--------------------------------------------------------------------------------------------------KEAKNLICAFLT-DREVRLG--RNG---------VEEIKRHLFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YEVV----------------KVIGRGA----------------FGEVQLVRH--KS------------------------------------TRKVYAMKLLS--KFEM-------------------------------AFFWEERDIMAFA--------------------------NSPWVVQLFYAFQDDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLYMVMEYMPG--------------GDLVNLMSN--Y--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVPEKWARFYTAEVVLALDAIHSM---------------------------------------------GFIHRDV-----KPDNMLLDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGHLKLADFGTCMKMNKEGMV--RC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTAVGTPDYISPEVLKS--Q-----------------------------GYYG-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMNH--KNSLTFPDDNDIS--------------------------------------------------------------------------------------------------KEAKNLICAFLT-DREVRLG--RNG---------VEEIKRHLFF
Activation segment
DFGTCMKMNKEGMV--RC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTAVGTPDYISPE
Binding pocket
KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGFIHRDVKPDNMLLLADFGTC
Ligand info
Orthosteric ligand
J0P
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 6E9W, Chain B