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6Z50

Crystal structure of CLK1 in complex with macrocycle ODS2003208

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 Residues12
Detailsbinding site for residue Q7K A 501
ChainResidue
ALEU167
AHOH717
AHOH823
AHOH908
AGLY168
AALA189
APHE241
AGLU242
ALEU244
AASP250
AASN293
ALEU295

site_idAC2
Number of Residues5
Detailsbinding site for residue EDO A 502
ChainResidue
AVAL156
ASER158
AALA159
AARG431
AALA432

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 503
ChainResidue
ASER158
AARG160
AGLU229
APHE257
AHOH821

site_idAC4
Number of Residues8
Detailsbinding site for residue EDO A 504
ChainResidue
ALEU213
AASN214
AASP217
ASER220
ACYS224
AVAL225
APHE278
AHOH623

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 505
ChainResidue
ALEU243
ALEU244
AVAL297
AGLN298
ASER299

site_idAC6
Number of Residues7
Detailsbinding site for residue EDO A 506
ChainResidue
AASP288
ASER328
ASER341
ATHR342
AHOH784
AHOH906
AHOH936

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 507
ChainResidue
AGLU201
AARG204
ASER205

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 508
ChainResidue
AGLU232
AHIS233
AHIS234
ALEU258
AHOH635

site_idAC9
Number of Residues5
Detailsbinding site for residue EDO A 509
ChainResidue
APHE251
AASN255
ALEU258
APRO259
APHE260

site_idAD1
Number of Residues3
Detailsbinding site for residue EDO A 510
ChainResidue
AARG465
AGLU470
AHOH650

site_idAD2
Number of Residues4
Detailsbinding site for residue EDO A 511
ChainResidue
AASP332
AGLN358
AHOH608
AHOH703

site_idAD3
Number of Residues5
Detailsbinding site for residue EDO A 512
ChainResidue
ATRP419
AASP420
ASER423
AEDO515
AHOH845

site_idAD4
Number of Residues5
Detailsbinding site for residue EDO A 513
ChainResidue
AASP383
AGLU386
AALA425
AHOH610
AHOH805

site_idAD5
Number of Residues4
Detailsbinding site for residue EDO A 514
ChainResidue
AARG223
ALYS267
AGLN271
AHOH854

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO A 515
ChainResidue
AASP418
AASP420
AEDO512
AHOH618

site_idAD7
Number of Residues3
Detailsbinding site for residue EDO A 516
ChainResidue
AARG261
AASP444
AHIS447

site_idAD8
Number of Residues8
Detailsbinding site for residue EDO A 517
ChainResidue
AARG343
AARG346
AHIS382
ASER384
AHIS387
AHOH605
AHOH620
AHOH811

site_idAD9
Number of Residues6
Detailsbinding site for residue GOL A 518
ChainResidue
AGLU162
AHIS181
ASER424
AALA425
ATYR428
AHOH691

site_idAE1
Number of Residues9
Detailsbinding site for residue GOL A 519
ChainResidue
AASP333
AASP333
AGLU334
AGLU334
AHOH601
AHOH647
AHOH647
AASP332
AASP332

site_idAE2
Number of Residues7
Detailsbinding site for residue NA A 520
ChainResidue
AGLU446
AARG449
APRO475
APHE476
AASP478
ALEU479
AHOH822

site_idAE3
Number of Residues9
Detailsbinding site for residue EDO A 521
ChainResidue
AARG393
AGLU421
AGLU421
AHIS422
AHIS422
ASER430
ASER430
AHOH641
AHOH641

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues25
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGAFGKVVeCidhkaggrh.........VAVK
ChainResidueDetails
ALEU167-LYS191

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LtHtDLKpeNILF
ChainResidueDetails
ALEU284-PHE296

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
AASP288

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALYS191
ALEU167

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PDB entries from 2024-05-15

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