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6Z36

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118

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
B0004672molecular_functionprotein kinase activity
B0004675molecular_functiontransmembrane receptor protein serine/threonine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
B0007178biological_processcell surface receptor protein serine/threonine kinase signaling pathway
B0016020cellular_componentmembrane
Functional Information from PDB Data
site_idAC1
Number of Residues8
Detailsbinding site for residue SO4 A 801
ChainResidue
AARG380
AASP438
AHOH923
AHOH996
AHOH1020
AHOH1023
AHOH1048
AHOH1093

site_idAC2
Number of Residues6
Detailsbinding site for residue EDO A 802
ChainResidue
AASP433
AGLN453
AARG454
AASN456
AHOH1031
APHE431

site_idAC3
Number of Residues3
Detailsbinding site for residue TAR A 803
ChainResidue
AGLY217
AARG218
ATYR219

site_idAC4
Number of Residues15
Detailsbinding site for residue Q5Z A 804
ChainResidue
AVAL214
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
AASP293
ALYS340
AASN341
ALEU343
AALA353
AASP354
AHOH994

site_idAC5
Number of Residues14
Detailsbinding site for residue Q5Z A 805
ChainResidue
AARG202
AVAL204
AALA205
AARG206
ATRP227
AALA267
AQ5Z806
AHOH1052
AHOH1106
BARG206
BASP269
BTHR271
BGLN278
BTRP280

site_idAC6
Number of Residues11
Detailsbinding site for residue Q5Z A 806
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
AQ5Z805
AHOH982
BSER272
BARG273
BSER276
BHOH806

site_idAC7
Number of Residues5
Detailsbinding site for residue SO4 A 807
ChainResidue
AARG247
AARG335
ALEU357
AHOH1091
AHOH1100

site_idAC8
Number of Residues9
Detailsbinding site for residue SO4 A 808
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH929
AHOH964
AHOH977
AHOH1019
AHOH1030
AHOH1050

site_idAC9
Number of Residues2
Detailsbinding site for residue EDO B 601
ChainResidue
BARG380
BASP438

site_idAD1
Number of Residues1
Detailsbinding site for residue NH4 B 602
ChainResidue
BARG490

site_idAD2
Number of Residues16
Detailsbinding site for residue Q5Z B 603
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BPHE324
BLYS340
BASN341
BLEU343
BALA353
BHOH747
BHOH807

site_idAD3
Number of Residues7
Detailsbinding site for residue SO4 B 604
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH748
BHOH750
BHOH777
BHOH883

site_idAD4
Number of Residues7
Detailsbinding site for residue SO4 B 605
ChainResidue
AASN459
BHIS274
BHOH714
BHOH772
BHOH870
AASN456
APRO458

site_idAD5
Number of Residues6
Detailsbinding site for residue SO4 B 606
ChainResidue
BARG218
BGLY377
BTHR378
BLYS379
BHOH707
BHOH757

site_idAD6
Number of Residues7
Detailsbinding site for residue SO4 B 607
ChainResidue
BGLU260
BILE262
BLEU263
BGLY264
BHIS286
BHOH701
BHOH907

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 Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP336
BASP336

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AVAL214
ALYS235
BVAL214
BLYS235

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PDB entries from 2024-06-26

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