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4DYM

Crystal structure of the ACVR1 kinase domain in complex with the imidazo[1,2-b]pyridazine inhibitor K00135

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004675molecular_functiontransmembrane receptor protein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
A0007178biological_processcell surface receptor protein serine/threonine kinase signaling pathway
A0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 501
ChainResidue
AARG380
AASN437
AASP438
AHOH647
AHOH660

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 502
ChainResidue
AHOH682
AHOH683
AHIS286
ALYS345
ALYS346
AHOH661

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE IYZ A 503
ChainResidue
AALA233
ALEU263
ATHR283
AHIS284
ATYR285
AHIS286
AGLY289
ASER290
ALYS340
ALEU343
AALA353
AGOL505

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 504
ChainResidue
AARG416
AGLU425
ATYR432
AHOH686

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 505
ChainResidue
ATYR219
ALYS235
ALYS338
AASN341
AASP354
AIYZ503
AGOL507
AHOH639

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 506
ChainResidue
ATYR432
AASP433
AASP433

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 507
ChainResidue
AARG218
ATYR219
AGOL505
AHOH639

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues22
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGKGRYGEVWrGswqgen............VAVK
ChainResidueDetails
AVAL214-LYS235

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHrDLKskNILV
ChainResidueDetails
AILE332-VAL344

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
AASP336

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AVAL214
ALYS235

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PDB entries from 2024-10-16

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