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6SZM

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009

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 Residues14
Detailsbinding site for residue M2Z A 501
ChainResidue
AARG202
BARG206
BASP269
BTHR271
BGLN278
BTRP280
AVAL204
AALA205
AARG206
ATRP227
AALA267
AM2Z502
AHOH641
AHOH712

site_idAC2
Number of Residues11
Detailsbinding site for residue M2Z A 502
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
AM2Z501
AHOH722
BSER272
BARG273
BSER276
BHOH746

site_idAC3
Number of Residues16
Detailsbinding site for residue M2Z A 503
ChainResidue
AVAL214
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289
AASP293
ALYS340
AASN341
ALEU343
AALA353
AASP354
AHOH738
AHOH907

site_idAC4
Number of Residues8
Detailsbinding site for residue SO4 A 504
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH643
AHOH652
AHOH669
AHOH676
AHOH756

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 505
ChainResidue
APHE431
AASP433
AARG454
AASN456
AHOH735
AHOH749

site_idAC6
Number of Residues6
Detailsbinding site for residue EDO A 506
ChainResidue
AHIS259
AILE262
AGLY264
AHIS284
AHIS286
AHOH720

site_idAC7
Number of Residues6
Detailsbinding site for residue EDO A 507
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BASN437

site_idAC8
Number of Residues4
Detailsbinding site for residue EDO A 508
ChainResidue
ALYS243
AARG247
AGLU250
BHOH609

site_idAC9
Number of Residues2
Detailsbinding site for residue NH4 A 509
ChainResidue
ALYS243
AARG247

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 510
ChainResidue
AARG416
ATYR432
AHOH609
AHOH760

site_idAD2
Number of Residues7
Detailsbinding site for residue SO4 A 511
ChainResidue
AASN456
APRO458
AASN459
AHOH631
AHOH671
AHOH764
BHIS274

site_idAD3
Number of Residues16
Detailsbinding site for residue M2Z B 501
ChainResidue
BHOH796
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BPHE324
BLYS340
BASN341
BLEU343
BHOH685

site_idAD4
Number of Residues8
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH617
BHOH662
BHOH671
BHOH677
BHOH710

site_idAD5
Number of Residues5
Detailsbinding site for residue DMS B 503
ChainResidue
BGLY377
BTHR378
BLYS379
BHOH684
BHOH781

site_idAD6
Number of Residues2
Detailsbinding site for residue EDO B 504
ChainResidue
BARG380
BASP438

site_idAD7
Number of Residues2
Detailsbinding site for residue EDO B 505
ChainResidue
BGLN480
BASN481

site_idAD8
Number of Residues8
Detailsbinding site for residue SO4 B 506
ChainResidue
AARG380
AASP438
APRO439
BHOH692
BHOH693
BHOH731
BHOH763
BHOH815

site_idAD9
Number of Residues7
Detailsbinding site for residue SO4 B 507
ChainResidue
AARG490
ALYS493
BGLU385
BTHR390
BILE391
BGLN392
BPRO482

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
BVAL214
BLYS235
AVAL214
ALYS235

220472

PDB entries from 2024-05-29

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