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5WNF

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 Residues18
Detailsbinding site for residue B4V A 501
ChainResidue
AILE82
AASP117
APHE120
AVAL137
AGLU154
ATYR155
AMET156
ALEU205
AGLY218
APHE368
AGLY85
AALA86
APHE87
AGLY88
AGLU89
AVAL90
AALA103
ALEU107

site_idAC2
Number of Residues5
Detailsbinding site for residue GOL A 502
ChainResidue
AASP169
AVAL170
AMET271
ALEU272
AASP304

site_idAC3
Number of Residues5
Detailsbinding site for residue GOL A 503
ChainResidue
AASN163
ASER166
AASN167
AASP369
CGLU12

site_idAC4
Number of Residues17
Detailsbinding site for residue B4V B 900
ChainResidue
BGLY85
BALA86
BPHE87
BGLY88
BGLU89
BVAL90
BALA103
BLEU107
BASP117
BPHE120
BVAL137
BMET153
BGLU154
BTYR155
BMET156
BLEU205
BGLY218

site_idAC5
Number of Residues19
Detailsbinding site for residue B4V C 900
ChainResidue
CILE82
CGLY85
CALA86
CPHE87
CGLY88
CVAL90
CALA103
CLEU107
CASP117
CPHE120
CVAL137
CMET153
CGLU154
CTYR155
CMET156
CLEU205
CASP216
CPHE368
CHOH1009

site_idAC6
Number of Residues18
Detailsbinding site for residue B4V D 900
ChainResidue
AASP281
DILE82
DGLY85
DALA86
DPHE87
DVAL90
DALA103
DASP117
DPHE120
DVAL137
DGLU154
DTYR155
DMET156
DLEU205
DPHE368
DHOH1011
DHOH1021
DHOH1028

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
AASP198
BASP198
CASP198
DASP198

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

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PDB entries from 2024-07-10

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