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6Z55

Crystal structure of CLK3 in complex with macrocycle ODS2004070

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 Residues11
Detailsbinding site for residue PO4 A 501
ChainResidue
AHIS330
BTHR332
BTHR333
ATHR332
ATHR333
AHOH601
AHOH614
AHOH615
AHOH618
AHOH870
BHIS330

site_idAC2
Number of Residues9
Detailsbinding site for residue PO4 A 502
ChainResidue
AARG402
ALYS405
AHOH605
AHOH713
AHOH724
AHOH785
AHOH809
BHIS328
BGLU329

site_idAC3
Number of Residues8
Detailsbinding site for residue PO4 A 503
ChainResidue
AARG189
AARG189
ALYS193
ALYS193
ATYR194
ATYR194
AHOH606
AHOH606

site_idAC4
Number of Residues7
Detailsbinding site for residue EDO A 504
ChainResidue
ALEU412
ATRP414
ATRP414
AHOH617
AHOH617
AHOH699
AHOH699

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 505
ChainResidue
AARG451
AALA458
AGLN459
AARG460
AGLU465

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 506
ChainResidue
APHE371
ATHR372
ALEU373
AASN427
ATYR434
AHOH746
AHOH876

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 507
ChainResidue
AHOH604
BASN190
BGLY192
BARG195

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 508
ChainResidue
AGLU348
AHOH662
AHOH732
BHIS330
BHIS331

site_idAC9
Number of Residues6
Detailsbinding site for residue EDO A 509
ChainResidue
ASER132
ASER135
AVAL145
AASP150
ATRP151
ANA518

site_idAD1
Number of Residues3
Detailsbinding site for residue EDO A 510
ChainResidue
AGLN153
AGLU154
BHIS303

site_idAD2
Number of Residues2
Detailsbinding site for residue EDO A 511
ChainResidue
AARG199
AASN203

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO A 512
ChainResidue
AGLY322
AALA324
AHOH649
AHOH691

site_idAD4
Number of Residues3
Detailsbinding site for residue EDO A 513
ChainResidue
AGLU295
APHE296
AHOH718

site_idAD5
Number of Residues4
Detailsbinding site for residue EDO A 514
ChainResidue
AARG422
AHOH640
BASP438
BSER439

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO A 515
ChainResidue
ASER418
ASER419
AASP420
AHOH765
AHOH788

site_idAD7
Number of Residues6
Detailsbinding site for residue EDO A 516
ChainResidue
AHIS330
AHIS331
AHOH613
AHOH918
BGLU348
BARG402

site_idAD8
Number of Residues7
Detailsbinding site for residue NA A 517
ChainResidue
AGLN278
ATHR280
ATHR325
APHE326
AASP327
AGLN353
AHOH695

site_idAD9
Number of Residues4
Detailsbinding site for residue NA A 518
ChainResidue
AHOH860
ASER132
ASER135
AEDO509

site_idAE1
Number of Residues11
Detailsbinding site for residue PQ5 A 519
ChainResidue
AALA184
ALYS186
APHE236
AGLU237
ALEU238
ALEU239
AASP320
AHOH675
AHOH698
AHOH717
AHOH831

site_idAE2
Number of Residues9
Detailsbinding site for residue PO4 B 501
ChainResidue
AHOH807
BARG402
BLYS403
BLYS405
BHOH602
BHOH614
BHOH706
BHOH763
BHOH766

site_idAE3
Number of Residues7
Detailsbinding site for residue PO4 B 502
ChainResidue
BARG189
BARG189
BLYS193
BLYS193
BTYR194
BTYR194
BHOH833

site_idAE4
Number of Residues5
Detailsbinding site for residue EDO B 503
ChainResidue
BGLY322
BALA324
BHOH613
BHOH728
BHOH734

site_idAE5
Number of Residues4
Detailsbinding site for residue EDO B 504
ChainResidue
BHIS328
BHOH640
BHOH750
BHOH790

site_idAE6
Number of Residues6
Detailsbinding site for residue EDO B 505
ChainResidue
BALA458
BGLN459
BARG460
BGLU465
BHOH635
BHOH799

site_idAE7
Number of Residues2
Detailsbinding site for residue EDO B 506
ChainResidue
BASP224
BTRP225

site_idAE8
Number of Residues5
Detailsbinding site for residue EDO B 507
ChainResidue
AASP438
BASP447
BARG450
BARG451
BGLU454

site_idAE9
Number of Residues2
Detailsbinding site for residue EDO B 508
ChainResidue
BSER395
BHOH624

site_idAF1
Number of Residues6
Detailsbinding site for residue EDO B 509
ChainResidue
BSER132
BVAL136
BVAL145
BASP150
BTRP151
BHIS377

site_idAF2
Number of Residues9
Detailsbinding site for residue EDO B 510
ChainResidue
BARG147
BLEU247
BPHE252
BGLU366
BGLY370
BPHE371
BTHR372
BHOH601
BHOH772

site_idAF3
Number of Residues4
Detailsbinding site for residue EDO B 511
ChainResidue
BLYS140
BILE334
BALA336
BHOH607

site_idAF4
Number of Residues5
Detailsbinding site for residue EDO B 512
ChainResidue
BASP327
BGLN353
BHOH637
BHOH658
BHOH694

site_idAF5
Number of Residues3
Detailsbinding site for residue EDO B 513
ChainResidue
BPHE371
BLEU373
BTYR434

site_idAF6
Number of Residues5
Detailsbinding site for residue EDO B 514
ChainResidue
BARG380
BTRP414
BASP415
BSER418
BGLY421

site_idAF7
Number of Residues8
Detailsbinding site for residue NA B 515
ChainResidue
BGLN278
BLEU279
BTHR280
BTHR325
BPHE326
BASP327
BGLN353
BHOH694

site_idAF8
Number of Residues11
Detailsbinding site for residue PQ5 B 516
ChainResidue
BVAL170
BALA184
BLYS186
BPHE236
BGLU237
BLEU238
BLEU239
BASP320
BHOH687
BHOH697
BHOH817

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
AASP283
BASP283

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU162
ALYS186
BLEU162
BLYS186

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER135
BSER135

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PDB entries from 2024-09-04

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