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4F6S

Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0005515molecular_functionprotein binding
B0005634cellular_componentnucleus
B0005654cellular_componentnucleoplasm
B0006351biological_processDNA-templated transcription
B0006357biological_processregulation of transcription by RNA polymerase II
B0016538molecular_functioncyclin-dependent protein serine/threonine kinase regulator activity
B0016592cellular_componentmediator complex
B0042802molecular_functionidentical protein binding
B0045023biological_processG0 to G1 transition
B0045746biological_processnegative regulation of Notch signaling pathway
B0045944biological_processpositive regulation of transcription by RNA polymerase II
B1990508cellular_componentCKM complex
Functional Information from PDB Data
site_idAC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE 0SQ A 501
ChainResidue
ATYR32
ASER62
AGLU66
ALEU73
AILE79
AHIS149
AALA172
AASP173

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 502
ChainResidue
AALA100
ALEU158
AHOH649
AASP98

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE FMT A 503
ChainResidue
AARG150
ATYR211

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE FMT A 504
ChainResidue
AARG65
AARG150

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE FMT A 505
ChainResidue
AARG71
AHOH648

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FMT A 506
ChainResidue
AILE79
ASER80
AASP98
AGLU165

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 301
ChainResidue
BGLN41
BLYS70
BFMT304

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 302
ChainResidue
BTYR153
BHIS154
BTYR156
BARG157

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 303
ChainResidue
BALA0
BGLU98
BILE151

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT B 304
ChainResidue
BGLN41
BTHR45
BTHR66
BPHE69
BLYS70
BEDO301

site_idBC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FMT B 305
ChainResidue
BGLN49
BGLN59
BALA63
BTYR156

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE FMT B 306
ChainResidue
BPHE5
BPRO194
BPHE195

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues26
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGRGTYGHVYkAkrkdgkddkd........YALK
ChainResidueDetails
AVAL27-LYS52

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. VlHrDLKpaNILV
ChainResidueDetails
AVAL147-VAL159

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues14
DetailsRegion: {"description":"Interaction with CCNC"}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues9
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues98
DetailsDomain: {"description":"Cyclin N-terminal"}
ChainResidueDetails

246704

PDB entries from 2025-12-24

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