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6Z51

Crystal structure of CLK3 in complex with macrocycle ODS2002941

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues5
Detailsbinding site for residue PO4 A 501
ChainResidue
AARG195
AARG199
ALYS403
ALYS405
AHOH744

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHOH616
AHOH640
AHOH777
ALEU412
AVAL413
ATRP414
AGLU416

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 503
ChainResidue
AGLU381
ATRP414
AASP415
ASER418
AHOH626

site_idAC4
Number of Residues7
Detailsbinding site for residue EDO A 504
ChainResidue
AGLN375
AHIS399
ATHR401
AHOH605
AHOH655
AHOH718
AHOH803

site_idAC5
Number of Residues9
Detailsbinding site for residue EDO A 505
ChainResidue
AHIS330
AHIS331
ALYS425
AEDO506
AHOH602
AHOH624
AHOH649
AHOH669
AHOH886

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 506
ChainResidue
AHIS331
AGLY350
ATRP351
AARG422
ALYS425
AEDO505
AHOH674

site_idAC7
Number of Residues7
Detailsbinding site for residue EDO A 507
ChainResidue
AALA352
AASN417
ASER419
APRO457
AHOH613
AHOH628
AHOH711

site_idAC8
Number of Residues4
Detailsbinding site for residue EDO A 508
ChainResidue
AGLU348
AARG402
AGLU426
AASN427

site_idAC9
Number of Residues3
Detailsbinding site for residue EDO A 509
ChainResidue
AASP447
AARG451
AGLU454

site_idAD1
Number of Residues6
Detailsbinding site for residue EDO A 510
ChainResidue
AGLU137
AASP138
ASER418
ASER419
AASP420
AHOH638

site_idAD2
Number of Residues5
Detailsbinding site for residue EDO A 511
ChainResidue
AVAL145
ACYS146
AARG147
AASP150
AHOH679

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO A 512
ChainResidue
AASN313
ATHR314
AGLU479
AHOH825

site_idAD4
Number of Residues6
Detailsbinding site for residue EDO A 513
ChainResidue
AHIS330
ATHR332
ATHR333
AHOH607
AHOH826
AHOH904

site_idAD5
Number of Residues10
Detailsbinding site for residue EDO A 514
ChainResidue
APHE371
ATHR372
ALEU373
AILE389
ACYS428
ATYR434
AHOH605
AHOH620
AHOH736
AHOH768

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO A 515
ChainResidue
AGLU387
ALYS388
AGLY391
AHOH694

site_idAD7
Number of Residues4
Detailsbinding site for residue EDO A 516
ChainResidue
ALYS140
APRO394
ASER395
AHIS396

site_idAD8
Number of Residues4
Detailsbinding site for residue EDO A 517
ChainResidue
ALYS432
AARG450
AHOH680
AHOH694

site_idAD9
Number of Residues3
Detailsbinding site for residue EDO A 518
ChainResidue
AHOH758
AASP447
AHIS469

site_idAE1
Number of Residues17
Detailsbinding site for residue Q8B A 519
ChainResidue
ALEU162
AGLY163
AGLU164
APHE167
AALA184
AGLU237
ALEU239
AASN242
AGLU287
AASN288
ALEU290
AASP320
AHOH652
AHOH705
AHOH756
AHOH812
AHOH818

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 Residues1
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP283

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU162
ALYS186

site_idSWS_FT_FI3
Number of Residues1
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER135

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PDB entries from 2024-10-16

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