PDB entry 7jnt

View 7jnt on RCSB PDB site
Description: crystal structure of rho-associated protein kinase 2 (rock2) in complex with a potent and selective dual rock inhibitor
Deposited on 2020-08-05, released 2020-09-02
The last revision was dated 2020-09-02, with a file datestamp of 2020-08-28.
Experiment type: XRAY
Resolution: 2.21 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'B':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'C':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'D':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'E':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'F':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'G':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Chain 'H':
    Compound: Rho-associated protein kinase 2
    Species: Homo sapiens [TaxId:9606]
    Gene: ROCK2, KIAA0619
    Database cross-references and differences (RAF-indexed):
  • Heterogens: VFA, MES, CL, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

  • Chain 'A':
    Sequence, based on SEQRES records:
    >7jntA (A:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntA (A:)
srqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkkirg
lqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerdim
afanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlalda
ihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhtpdyispevlkfygrecd
wwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpedaeiskhaknlicafltdr
evrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfddiedvetfpip
kafvgnqlpfigftyyr

  • Chain 'B':
    Sequence, based on SEQRES records:
    >7jntB (B:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntB (B:)
gasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkki
rglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerd
imafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlal
daihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvpdyispevlksfygrec
dwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpedaeiskhaknlicafltd
revrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfddivetfpipk
afvgnqlpfigftyyr

  • Chain 'C':
    Sequence, based on SEQRES records:
    >7jntC (C:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntC (C:)
gasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkki
rglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerd
imafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlal
daihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcgtpdyispevlksqg
gfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpedaeiskhaknl
icafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfddie
ddvetfpipkafvgnqlpfigftyyr

  • Chain 'D':
    Sequence, based on SEQRES records:
    >7jntD (D:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntD (D:)
srqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkkirg
lqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerdim
afanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlalda
ihsmglihrdvkpdnmlldkhghlkladfgtcmkmdyispevlygrecdwwsvgvflyem
lvgdtpfyadslvgtyskimdhknslcaeiskhaknlicafltdrevrlgrngveeirqh
pffkndqwhwdniretaapvvpelssdidssnfddivetfpipkafvgnqlpfigftyyr

  • Chain 'E':
    Sequence, based on SEQRES records:
    >7jntE (E:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntE (E:)
gasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkki
rglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerd
imafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlal
daihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtpdyispevlksqg
gdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpeaeiskhakn
licafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfddi
vetfpipkafvgnqlpfigftyyr

  • Chain 'F':
    Sequence, based on SEQRES records:
    >7jntF (F:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntF (F:)
srqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkkirg
lqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerdim
afanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlalda
ihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyispevlks
gfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpedaeiskhaknl
icafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfddie
dvetfpipkafvgnqlpfigftyyr

  • Chain 'G':
    Sequence, based on SEQRES records:
    >7jntG (G:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntG (G:)
gasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkki
rglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerd
imafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlal
daihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdttpdyispevlksq
ggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpedaeiskha
knlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfd
diedvetfpipkafvgnqlpfigftyyr

  • Chain 'H':
    Sequence, based on SEQRES records:
    >7jntH (H:)
gdgagasrqrklealirdprspinveslldglnslvldldfpalrknknidnflnryeki
vkkirglqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffw
eerdimafanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaev
vlaldaihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyis
pevlksqggdgfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfped
aeiskhaknlicafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssd
idssnfddieddkgdvetfpipkafvgnqlpfigftyyr

    Sequence, based on observed residues (ATOM records):
    >7jntH (H:)
srqrklealirdprspinveslldglnslvldldfpalrknknidnflnryekivkkirg
lqmkaedydvvkvigrgafgevqlvrhkasqkvyamkllskfemikrsdsaffweerdim
afanspwvvqlfyafqddrylymvmeympggdlvnlmsnydvpekwakfytaevvlalda
ihsmglihrdvkpdnmlldkhghlkladfgtcmkmdetgmvhcdtavgtpdyispevlkd
gfygrecdwwsvgvflyemlvgdtpfyadslvgtyskimdhknslcfpedaeiskhaknl
icafltdrevrlgrngveeirqhpffkndqwhwdniretaapvvpelssdidssnfddie
ddvetfpipkafvgnqlpfigftyyr