7P6N Chain A
Rho-associated protein kinase 2 (ROCK2)
Active — 99.6%DFG-inαC-inType1 · 5YS
Resolution
3.0 Å
R-value
0.186
Predicted activity confidence99.6%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
ASRQRKLEALIRDPRSPINVESLLDGLNSLVLDLDFPALRKNKNIDNFLNRYEKIVKKIRGLQMKAEDYDVVKVIGRGAFGEVQLVRHKASQKVYAMKLLSKFEMIKRSDSAFFWEERDIMAFANSPWVVQLFYAFQDDRYLYMVMEYMPGGDLVNLMSNYDVPEKWAKFYTAEVVLALDAIHSMGLIHRDVKPDNMLLDKHGHLKLADFGTCMKMDETGMVHAVGTPDYISPEVLKSQGFYGRECDWWSVGVFLYEMLVGDTPFYADSLVGTYSKIMDHKNSLCFPEDAEISKHAKNLICAFLTDREVRLGRNGVEEIRQHPFFKNDQWHWDNIRETAAPVVPELSSDIDSSNFDDIEDVETFPIPKAFVGNQLPFIGFTYYR
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--H-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVGTPDYISPEVLKS--Q-----------------------------GFYG-RECDWWSVGVFLYEMLVG-----------------DTPFYA--------------------------------------------------DSLVGTYSKIMDH--KNSLCFPEDAEIS--------------------------------------------------------------------------------------------------KHAKNLICAFLT-DREVRLG--RNG---------VEEIRQHPFF
Activation segment
DFGTCMKMDETGMV--H-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AVGTPDYISPE
Binding pocket
KVIGRGAFGEVQLYAMKLLFFWEERDIMAFANPWVVQLFYAYMVMEYMPGGDLVNLMSNAIHSMGLIHRDVKPDNMLLLADFGTC
Ligand info
Orthosteric ligand
5YS
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 7P6N, Chain A