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7NNS

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

Functional Information from GO Data
ChainGOidnamespacecontents
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 Residues6
Detailsbinding site for residue EDO B 501
ChainResidue
BTYR381
BMET382
BALA383
BVAL402
BEDO502
BHOH627

site_idAC2
Number of Residues3
Detailsbinding site for residue EDO B 502
ChainResidue
BARG335
BTYR399
BEDO501

site_idAC3
Number of Residues2
Detailsbinding site for residue EDO B 503
ChainResidue
BARG218
BC87507

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO B 504
ChainResidue
BLYS400
BTHR487
BALA488
BLEU489
BHOH663

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO B 505
ChainResidue
BSER290
BASP293
BLYS340
BC87507
BHOH631

site_idAC6
Number of Residues4
Detailsbinding site for residue EDO B 506
ChainResidue
BASP433
BARG454
BASN456
BHOH650

site_idAC7
Number of Residues13
Detailsbinding site for residue C87 B 507
ChainResidue
BVAL214
BALA233
BLYS235
BHIS284
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BLEU343
BEDO503
BEDO505
BHOH667

site_idAC8
Number of Residues4
Detailsbinding site for residue SO4 B 508
ChainResidue
BARG380
BASN437
BASP438
BHOH646

site_idAC9
Number of Residues4
Detailsbinding site for residue SO4 B 509
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH636

site_idAD1
Number of Residues4
Detailsbinding site for residue SO4 B 510
ChainResidue
BARG258
BPRO458
BASN459
BHOH639

site_idAD2
Number of Residues4
Detailsbinding site for residue SO4 B 511
ChainResidue
BLYS379
BSER440
BPHE441
BHOH623

site_idAD3
Number of Residues5
Detailsbinding site for residue SO4 B 512
ChainResidue
BMET256
BLEU257
BARG258
BHIS318
BHOH619

site_idAD4
Number of Residues3
Detailsbinding site for residue SO4 B 513
ChainResidue
BASP301
BTHR302
BHOH604

site_idAD5
Number of Residues3
Detailsbinding site for residue SO4 B 514
ChainResidue
BTHR271
BSER272
BHOH614

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues22
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGKGRYGEVWrGswqgen............VAVK
ChainResidueDetails
BVAL214-LYS235

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IaHrDLKskNILV
ChainResidueDetails
BILE332-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
BASP336

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
BVAL214
BLYS235

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PDB entries from 2025-06-11

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