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6OL2

Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening

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 Residues14
Detailsbinding site for residue MU7 A 501
ChainResidue
AILE227
APHE356
AGLY367
AASP368
ALEU369
AHOH781
ALYS233
AVAL235
AVAL281
ATHR301
ALEU303
AMET304
ATHR305
AGLY307

site_idAC2
Number of Residues8
Detailsbinding site for residue GOL A 502
ChainResidue
APRO392
ATYR422
AARG434
AVAL435
AGLY438
AVAL439
AILE460
AGLN462

site_idAC3
Number of Residues8
Detailsbinding site for residue GOL A 503
ChainResidue
AALA382
AVAL383
AILE384
AGLY385
APRO387
AASN427
AALA428
AHOH664

site_idAC4
Number of Residues3
Detailsbinding site for residue GOL A 504
ChainResidue
AGLU424
AARG434
AALA442

site_idAC5
Number of Residues2
Detailsbinding site for residue GOL A 505
ChainResidue
ATYR432
ATHR436

site_idAC6
Number of Residues2
Detailsbinding site for residue ACT A 506
ChainResidue
AASP203
AACT507

site_idAC7
Number of Residues4
Detailsbinding site for residue ACT A 507
ChainResidue
ATHR244
AACT506
AHOH616
AHOH721

site_idAC8
Number of Residues3
Detailsbinding site for residue ACT A 508
ChainResidue
AMET319
AALA416
AHOH654

Functional Information from PROSITE/UniProt
site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKcdNIFI
ChainResidueDetails
AILE345-ILE357

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues258
DetailsDomain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"10828064","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"16083423","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues5
DetailsBinding site: {"evidences":[{"source":"UniProtKB","id":"Q9H4A3","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues4
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"24803536","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"4Q2A","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"12374799","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues1
DetailsModified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"12374799","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22544747","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

239803

PDB entries from 2025-08-06

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