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6Z52

Crystal structure of CLK3 in complex with macrocycle ODS2003136

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
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue EDO A 501
ChainResidue
ATRP225
AIOD507
AHOH676
BLYS206
BTRP225
BIOD510

site_idAC2
Number of Residues4
Detailsbinding site for residue EDO A 502
ChainResidue
ALYS248
AASN242
APHE244
AGLU245

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 503
ChainResidue
AARG451
AGLU454
AGLN459
AARG460
AILE461

site_idAC4
Number of Residues3
Detailsbinding site for residue EDO A 504
ChainResidue
AARG402
AHOH776
AHOH791

site_idAC5
Number of Residues3
Detailsbinding site for residue EDO A 505
ChainResidue
AARG199
ATRP225
BARG199

site_idAC6
Number of Residues1
Detailsbinding site for residue CL A 506
ChainResidue
ATRP414

site_idAC7
Number of Residues1
Detailsbinding site for residue IOD A 507
ChainResidue
AEDO501

site_idAC8
Number of Residues1
Detailsbinding site for residue IOD A 508
ChainResidue
ALYS405

site_idAC9
Number of Residues3
Detailsbinding site for residue CL A 509
ChainResidue
AHIS143
ALEU144
AILE187

site_idAD1
Number of Residues1
Detailsbinding site for residue IOD A 511
ChainResidue
AGLN375

site_idAD2
Number of Residues1
Detailsbinding site for residue IOD A 512
ChainResidue
AHOH663

site_idAD3
Number of Residues2
Detailsbinding site for residue IOD A 513
ChainResidue
AARG131
AGLN153

site_idAD4
Number of Residues3
Detailsbinding site for residue IOD A 514
ChainResidue
AASN203
BASN227
BHOH716

site_idAD5
Number of Residues14
Detailsbinding site for residue Q8T A 515
ChainResidue
ALEU162
APHE167
AVAL170
AALA184
AGLU237
ALEU239
AASN242
AGLU245
AGLU287
AASN288
ALEU290
AASP320
AHOH691
AHOH737

site_idAD6
Number of Residues3
Detailsbinding site for residue EDO B 501
ChainResidue
BLYS248
BPHE252
BHOH612

site_idAD7
Number of Residues2
Detailsbinding site for residue EDO B 502
ChainResidue
BCYS146
BASN161

site_idAD8
Number of Residues5
Detailsbinding site for residue EDO B 503
ChainResidue
BASN242
BPHE244
BGLU245
BLYS248
BQ8T515

site_idAD9
Number of Residues6
Detailsbinding site for residue EDO B 504
ChainResidue
BGLU378
BARG380
BGLU381
BTRP414
BASP415
BSER418

site_idAE1
Number of Residues3
Detailsbinding site for residue EDO B 505
ChainResidue
BARG402
BHOH779
BHOH842

site_idAE2
Number of Residues1
Detailsbinding site for residue CL B 506
ChainResidue
BHOH713

site_idAE3
Number of Residues2
Detailsbinding site for residue IOD B 507
ChainResidue
BARG131
BGLN153

site_idAE4
Number of Residues3
Detailsbinding site for residue CL B 508
ChainResidue
BHIS143
BLEU144
BILE187

site_idAE5
Number of Residues2
Detailsbinding site for residue IOD B 509
ChainResidue
BHOH752
BHOH785

site_idAE6
Number of Residues2
Detailsbinding site for residue IOD B 510
ChainResidue
AEDO501
BSER223

site_idAE7
Number of Residues2
Detailsbinding site for residue IOD B 511
ChainResidue
BTRP414
BHOH860

site_idAE8
Number of Residues1
Detailsbinding site for residue IOD B 512
ChainResidue
BGLN375

site_idAE9
Number of Residues1
Detailsbinding site for residue IOD B 513
ChainResidue
BLYS405

site_idAF1
Number of Residues4
Detailsbinding site for residue IOD B 514
ChainResidue
AGLN153
AASN227
BASN203
BLYS206

site_idAF2
Number of Residues15
Detailsbinding site for residue Q8T B 515
ChainResidue
BHOH720
BLEU162
BGLU164
BPHE167
BALA184
BPHE236
BGLU237
BLEU239
BASN242
BGLU287
BASN288
BLEU290
BEDO503
BHOH604
BHOH701

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues25
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGTFGKVVeCldhargksq.........VALK
ChainResidueDetails
ALEU162-LYS186

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LtHtDLKpeNILF
ChainResidueDetails
ALEU279-PHE291

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
ALEU431
BLEU431

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ASER310
AILE334
BSER310
BILE334

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:18669648
ChainResidueDetails
AARG155
BARG155

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569
ChainResidueDetails
AGLU157
BGLU157

site_idSWS_FT_FI5
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
AALA197
AARG199
BALA197
BARG199

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231
ChainResidueDetails
AASN215
BASN215

site_idSWS_FT_FI7
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231
ChainResidueDetails
AASP224
APHE226
BASP224
BPHE226

site_idSWS_FT_FI8
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:23186163
ChainResidueDetails
AASP283
BASP283

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PDB entries from 2024-07-17

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