6P5P Chain A
Rho-associated protein kinase 2 (ROCK2)
Active — 98.5%DFG-inαC-inType1 · O1V
Resolution
3.3 Å
R-value
0.207
Predicted activity confidence98.5%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
QRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGYYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDIDSSNFDDIEVETFPIPKAFVGNQLPFIGFTYYR
UniProt reference sequence
YDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHCDTAVGTPDYISPEVLKSQGGDGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFF
Aligned reference sequence
YDVV----------------KVIGRGA----------------FGEVQLVRH--KA------------------------------------SQKVYAMKLLS--KFEMIKRSD-------------------------SAFFWEERDIMAFA--------------------------NSPWVVQLFYAFQDDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLYMVMEYMPG--------------GDLVNLMSN--Y--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVPEKWAKFYTAEVVLALDAIHSM---------------------------------------------GLIHRDV-----KPDNMLLDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HGHLKLADFGTCMKMDETGMV--HC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTAVGTPDYISPEVLKS--QGGD--------------------------GFYG-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMDH--KNSLCFPEDAEIS--------------------------------------------------------------------------------------------------KHAKNLICAFLT-DREVRLG--RNG---------VEEIRQHPFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YDVV----------------KVIGRGA----------------FGEVQLVRH--KA------------------------------------SQKVYAMKLLS--KFEMIKRSD-------------------------SAFFWEERDIMAFA--------------------------NSPWVVQLFYAFQDDR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YLYMVMEYMPG--------------GDLVNLMSN--Y--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVPEKWAKFYTAEVVLALDAIHSM---------------------------------------------GLIHRDV-----KPDNMLLDK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HGHLKLADFGTCMKMDETGMV--HC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTAVGTPDYISPEVLKS--QGGD--------------------------GYYG-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMDH--KNSLCFPEDAEIS--------------------------------------------------------------------------------------------------KHAKNLICAFLT-DREVRLG--RNG---------VEEIRQHPFF
Activation segment
DFGTCMKMDETGMV--HC--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DTAVGTPDYISPE
Binding pocket
KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGLIHRDVKPDNMLLLADFGTC
Ligand info
Orthosteric ligand
O1V
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 6P5P, Chain A