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5WNE

X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
C0004672molecular_functionprotein kinase activity
C0004674molecular_functionprotein serine/threonine kinase activity
C0005524molecular_functionATP binding
C0006468biological_processprotein phosphorylation
D0004672molecular_functionprotein kinase activity
D0004674molecular_functionprotein serine/threonine kinase activity
D0005524molecular_functionATP binding
D0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues15
Detailsbinding site for residue B4J A 501
ChainResidue
AILE82
AMET153
AGLU154
ALEU205
AASP216
AGLY218
AHOH602
AGLY85
AALA86
APHE87
AVAL90
ALYS105
ALEU107
AASP117
APHE120

site_idAC2
Number of Residues3
Detailsbinding site for residue GOL A 502
ChainResidue
AGLU270
AGLY274
AHOH611

site_idAC3
Number of Residues14
Detailsbinding site for residue B4J B 900
ChainResidue
BGLY85
BALA86
BPHE87
BVAL90
BALA103
BLYS105
BASP117
BPHE120
BGLU154
BLEU205
BALA215
BASP216
BGLY218
BPHE368

site_idAC4
Number of Residues16
Detailsbinding site for residue B4J C 900
ChainResidue
CILE82
CGLY85
CALA86
CPHE87
CGLY88
CVAL90
CLYS105
CLEU107
CASP117
CPHE120
CMET153
CGLU154
CLEU205
CASP216
CGLY218
CHOH1002

site_idAC5
Number of Residues15
Detailsbinding site for residue B4J D 900
ChainResidue
DGLY85
DALA86
DPHE87
DVAL90
DLYS105
DASP117
DPHE120
DVAL137
DMET153
DGLU154
DLEU205
DASP216
DGLY218
DPHE368
DHOH1002

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGRGAFGEVQlVrhkstrkv..........YAMK
ChainResidueDetails
AILE82-LYS105

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. FiHrDVKpdNMLL
ChainResidueDetails
APHE194-LEU206

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
BASP198
CASP198
DASP198
AASP198

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
CILE82
CLYS105
DILE82
DLYS105
AILE82
ALYS105
BILE82
BLYS105

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PDB entries from 2024-05-15

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