7S25 Chain A
Rho-associated protein kinase 1 (ROCK1)
Inactive — 0.4%DFG-outαC-inType1 · 86G
Resolution
2.337 Å
R-value
0.24
Predicted activity confidence0.4%
Structure info
Alternate conformationA
Missing atoms0
Missing residues2
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
FETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGGTPDYISPEVLKSQYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSLTFPDDNDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDLEEDKGEEETFPIPKAFVGNQLPFVGFTYYS
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--KFEMIKRSD-------------------------SAFFWEERDIMAFA--------------------------NSPWVVQLFYAFQDDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLYMVMEYMPG--------------GDLVNLMSN--Y--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVPEKWARFYTAEVVLALDAIHSM---------------------------------------------GFIHRDV-----KPDNMLLDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGHLKLADFG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTPDYISPEVLKS--Q-------------------------------YG-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMNH--KNSLTFPDDNDIS--------------------------------------------------------------------------------------------------KEAKNLICAFLT-DREVRLG--RNG---------VEEIKRHLFF
Activation segment
DFG---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTPDYISPE
Binding pocket
KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGFIHRDVKPDNMLLLADFG__
Ligand info
Orthosteric ligand
86G
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationout
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 7S25, Chain A