3NCZ Chain B
Rho-associated protein kinase 1 (ROCK1)
Active — 98.7%DFG-inαC-inType1 · 3NC
Resolution
3.0 Å
R-value
0.259
Predicted activity confidence98.7%
Structure info
Alternate conformation—
Missing atoms6
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
HMSFETRFEKMDNLLRDPKSEVNSDCLLDGLDALVYDLDFPALRKNKNIDNFLSRYKDTINKIRDLRMKAEDYEVVKVIGRGAFGEVQLVRHKSTRKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWARFYTAEVVLALDAIHSMGFIHRDVKPDNMLLDKSGHLKLADFGTCMKMNKEGMVRCDVGTPDYISPEVLKSQGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMNHKNSDISKEAKNLICAFLTDREVRLGRNGVEEIKRHLFFKNDQWAWETLRDTVAPVVPDLSSDIDTSNFDDGEEETFPIPKAFVGNQLPFVGFTYYSN
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--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGHLKLADFGTCMKMNKEGMV--RC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------D--VGTPDYISPEVLKS--Q--------------------------------G-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMNH--KNS-------DIS--------------------------------------------------------------------------------------------------KEAKNLICAFLT-DREVRLG--RNG---------VEEIKRHLFF
Activation segment
DFGTCMKMNKEGMV--RC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------D--VGTPDYISPE
Binding pocket
KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGFIHRDVKPDNMLLLADFGTC
Ligand info
Orthosteric ligand
3NC
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 3NCZ, Chain B