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6Q2A

Trypanosoma brucei CLK1 kinase domain in complex with a covalent aminobenzimidazole inhibitor AB1

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
C0004672molecular_functionprotein kinase activity
C0005524molecular_functionATP binding
C0006468biological_processprotein phosphorylation
D0004672molecular_functionprotein kinase activity
D0005524molecular_functionATP binding
D0006468biological_processprotein phosphorylation
E0004672molecular_functionprotein kinase activity
E0005524molecular_functionATP binding
E0006468biological_processprotein phosphorylation
F0004672molecular_functionprotein kinase activity
F0005524molecular_functionATP binding
F0006468biological_processprotein phosphorylation
G0004672molecular_functionprotein kinase activity
G0005524molecular_functionATP binding
G0006468biological_processprotein phosphorylation
H0004672molecular_functionprotein kinase activity
H0005524molecular_functionATP binding
H0006468biological_processprotein phosphorylation
I0004672molecular_functionprotein kinase activity
I0005524molecular_functionATP binding
I0006468biological_processprotein phosphorylation
J0004672molecular_functionprotein kinase activity
J0005524molecular_functionATP binding
J0006468biological_processprotein phosphorylation
K0004672molecular_functionprotein kinase activity
K0005524molecular_functionATP binding
K0006468biological_processprotein phosphorylation
L0004672molecular_functionprotein kinase activity
L0005524molecular_functionATP binding
L0006468biological_processprotein phosphorylation
M0004672molecular_functionprotein kinase activity
M0005524molecular_functionATP binding
M0006468biological_processprotein phosphorylation
N0004672molecular_functionprotein kinase activity
N0005524molecular_functionATP binding
N0006468biological_processprotein phosphorylation
O0004672molecular_functionprotein kinase activity
O0005524molecular_functionATP binding
O0006468biological_processprotein phosphorylation
P0004672molecular_functionprotein kinase activity
P0005524molecular_functionATP binding
P0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues3
Detailsbinding site for residue SO4 A 500
ChainResidue
AARG188
AARG456
ASER457

site_idAC2
Number of Residues11
Detailsbinding site for residue 5XH A 501
ChainResidue
APRO214
ACYS215
AASP218
AGLU259
ALEU262
ALEU135
AVAL143
AMET192
AMET209
ATYR212
AGLY213

site_idAC3
Number of Residues2
Detailsbinding site for residue SO4 B 501
ChainResidue
BARG307
BHIS346

site_idAC4
Number of Residues3
Detailsbinding site for residue SO4 B 502
ChainResidue
BARG284
BHIS449
GPRO450

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 B 503
ChainResidue
BARG188
BARG456
BSER457
GGLU186

site_idAC6
Number of Residues3
Detailsbinding site for residue SO4 C 501
ChainResidue
CARG307
CHIS346
CHOH614

site_idAC7
Number of Residues4
Detailsbinding site for residue SO4 C 502
ChainResidue
CARG284
CHIS449
CHOH606
HPRO450

site_idAC8
Number of Residues4
Detailsbinding site for residue SO4 C 503
ChainResidue
CARG188
CARG456
CSER457
HGLU186

site_idAC9
Number of Residues3
Detailsbinding site for residue SO4 D 500
ChainResidue
DARG188
DARG456
DSER457

site_idAD1
Number of Residues2
Detailsbinding site for residue SO4 E 501
ChainResidue
EARG307
EHIS346

site_idAD2
Number of Residues3
Detailsbinding site for residue SO4 E 502
ChainResidue
EARG284
EHIS449
PPRO450

site_idAD3
Number of Residues3
Detailsbinding site for residue SO4 E 503
ChainResidue
EARG188
EARG456
ESER457

site_idAD4
Number of Residues3
Detailsbinding site for residue SO4 F 501
ChainResidue
FARG307
FHIS346
FHOH615

site_idAD5
Number of Residues3
Detailsbinding site for residue SO4 F 502
ChainResidue
FARG284
FHIS449
OPRO450

site_idAD6
Number of Residues4
Detailsbinding site for residue SO4 F 503
ChainResidue
FARG188
FARG456
FSER457
OGLU186

site_idAD7
Number of Residues3
Detailsbinding site for residue SO4 G 500
ChainResidue
GARG188
GARG456
GSER457

site_idAD8
Number of Residues2
Detailsbinding site for residue SO4 H 501
ChainResidue
HARG307
HHIS346

site_idAD9
Number of Residues3
Detailsbinding site for residue SO4 H 502
ChainResidue
HARG188
HARG456
HSER457

site_idAE1
Number of Residues2
Detailsbinding site for residue SO4 I 501
ChainResidue
IARG307
IHIS346

site_idAE2
Number of Residues2
Detailsbinding site for residue SO4 I 502
ChainResidue
IARG284
IHIS449

site_idAE3
Number of Residues3
Detailsbinding site for residue SO4 I 503
ChainResidue
IARG188
IARG456
ISER457

site_idAE4
Number of Residues2
Detailsbinding site for residue SO4 J 501
ChainResidue
JARG307
JHIS346

site_idAE5
Number of Residues3
Detailsbinding site for residue SO4 J 502
ChainResidue
JARG284
JHIS449
JHOH608

site_idAE6
Number of Residues2
Detailsbinding site for residue SO4 J 503
ChainResidue
JARG456
JSER457

site_idAE7
Number of Residues3
Detailsbinding site for residue SO4 K 501
ChainResidue
DPRO450
KARG284
KHIS449

site_idAE8
Number of Residues2
Detailsbinding site for residue SO4 K 502
ChainResidue
KARG456
KSER457

site_idAE9
Number of Residues3
Detailsbinding site for residue SO4 L 501
ChainResidue
APRO450
LARG284
LHIS449

site_idAF1
Number of Residues3
Detailsbinding site for residue SO4 L 502
ChainResidue
LARG188
LARG456
LSER457

site_idAF2
Number of Residues3
Detailsbinding site for residue SO4 M 500
ChainResidue
MARG188
MARG456
MSER457

site_idAF3
Number of Residues3
Detailsbinding site for residue SO4 N 500
ChainResidue
NARG188
NARG456
NSER457

site_idAF4
Number of Residues2
Detailsbinding site for residue SO4 O 501
ChainResidue
OARG307
OHIS346

site_idAF5
Number of Residues4
Detailsbinding site for residue SO4 O 502
ChainResidue
OSER457
FGLU186
OARG188
OARG456

site_idAF6
Number of Residues2
Detailsbinding site for residue SO4 P 501
ChainResidue
PARG307
PHIS346

site_idAF7
Number of Residues3
Detailsbinding site for residue SO4 P 502
ChainResidue
PARG188
PARG456
PSER457

site_idAF8
Number of Residues16
Detailsbinding site for Di-peptide 5XH B 504 and CYS B 215
ChainResidue
BLEU135
BGLY136
BALA156
BMET209
BLYS211
BTYR212
BGLY213
BPRO214
BLEU216
BLEU217
BASP218
BTRP219
BPRO258
BGLU259
BILE261
BLEU262

site_idAF9
Number of Residues16
Detailsbinding site for Di-peptide 5XH C 504 and CYS C 215
ChainResidue
CLEU135
CALA156
CMET209
CPRO210
CLYS211
CTYR212
CGLY213
CPRO214
CLEU216
CLEU217
CASP218
CTRP219
CPRO258
CGLU259
CILE261
CLEU262

site_idAG1
Number of Residues15
Detailsbinding site for Di-peptide 5XH D 501 and CYS D 215
ChainResidue
DLEU135
DVAL143
DMET192
DMET209
DTYR212
DGLY213
DPRO214
DLEU216
DLEU217
DASP218
DTRP219
DPRO258
DGLU259
DILE261
DLEU262

site_idAG2
Number of Residues15
Detailsbinding site for Di-peptide 5XH E 504 and CYS E 215
ChainResidue
ELEU135
EGLY136
EMET209
ELYS211
ETYR212
EGLY213
EPRO214
ELEU216
ELEU217
EASP218
ETRP219
EPRO258
EGLU259
EILE261
ELEU262

site_idAG3
Number of Residues14
Detailsbinding site for Di-peptide 5XH F 504 and CYS F 215
ChainResidue
FLEU135
FMET209
FLYS211
FTYR212
FGLY213
FPRO214
FLEU216
FLEU217
FASP218
FTRP219
FPRO258
FGLU259
FILE261
FLEU262

site_idAG4
Number of Residues13
Detailsbinding site for Di-peptide 5XH G 501 and CYS G 215
ChainResidue
GLEU135
GMET209
GTYR212
GGLY213
GPRO214
GLEU216
GLEU217
GASP218
GTRP219
GPRO258
GGLU259
GILE261
GLEU262

site_idAG5
Number of Residues16
Detailsbinding site for Di-peptide 5XH H 503 and CYS H 215
ChainResidue
HLEU135
HGLY136
HVAL143
HMET192
HMET209
HTYR212
HGLY213
HPRO214
HLEU216
HLEU217
HASP218
HTRP219
HPRO258
HGLU259
HILE261
HLEU262

site_idAG6
Number of Residues14
Detailsbinding site for Di-peptide 5XH I 504 and CYS I 215
ChainResidue
ILEU135
IMET209
ILYS211
ITYR212
IGLY213
IPRO214
ILEU216
ILEU217
IASP218
ITRP219
IPRO258
IGLU259
IILE261
ILEU262

site_idAG7
Number of Residues15
Detailsbinding site for Di-peptide 5XH J 504 and CYS J 215
ChainResidue
JLEU135
JGLY136
JMET209
JTYR212
JGLY213
JPRO214
JLEU216
JLEU217
JASP218
JTRP219
JPRO258
JGLU259
JILE261
JLEU262
JHOH622

site_idAG8
Number of Residues14
Detailsbinding site for Di-peptide 5XH K 503 and CYS K 215
ChainResidue
KLEU135
KGLY136
KMET209
KTYR212
KGLY213
KPRO214
KLEU216
KLEU217
KASP218
KTRP219
KPRO258
KGLU259
KILE261
KLEU262

site_idAG9
Number of Residues13
Detailsbinding site for Di-peptide 5XH L 503 and CYS L 215
ChainResidue
LLEU135
LMET209
LTYR212
LGLY213
LPRO214
LLEU216
LLEU217
LASP218
LTRP219
LPRO258
LGLU259
LILE261
LLEU262

site_idAH1
Number of Residues13
Detailsbinding site for Di-peptide 5XH M 501 and CYS M 215
ChainResidue
MLEU135
MMET209
MTYR212
MGLY213
MPRO214
MLEU216
MLEU217
MASP218
MTRP219
MPRO258
MGLU259
MILE261
MLEU262

site_idAH2
Number of Residues14
Detailsbinding site for Di-peptide 5XH N 501 and CYS N 215
ChainResidue
NLEU135
NVAL143
NMET209
NTYR212
NGLY213
NPRO214
NLEU216
NLEU217
NASP218
NTRP219
NPRO258
NGLU259
NILE261
NLEU262

site_idAH3
Number of Residues13
Detailsbinding site for Di-peptide 5XH O 503 and CYS O 215
ChainResidue
OLEU135
OMET209
OTYR212
OGLY213
OPRO214
OLEU216
OLEU217
OASP218
OTRP219
OPRO258
OGLU259
OILE261
OLEU262

site_idAH4
Number of Residues14
Detailsbinding site for Di-peptide 5XH P 503 and CYS P 215
ChainResidue
PLEU135
PMET192
PMET209
PTYR212
PGLY213
PPRO214
PLEU216
PLEU217
PASP218
PTRP219
PPRO258
PGLU259
PILE261
PLEU262

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGTFGKVVeAwdrkrkey..........CAVK
ChainResidueDetails
ALEU135-LYS158

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LmHtDLKpeNILM
ChainResidueDetails
ALEU251-MET263

222415

PDB entries from 2024-07-10

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