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7C3G

Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134

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 Residues22
Detailsbinding site for residue FH0 A 501
ChainResidue
AVAL214
AGLU287
AMET288
AGLY289
ASER290
AASP293
ALYS340
ALEU343
AHOH606
AHOH712
BASN421
AVAL222
BASN459
BARG460
BSER463
AALA233
ALYS235
ALEU263
ATHR283
AHIS284
ATYR285
AHIS286

site_idAC2
Number of Residues9
Detailsbinding site for residue SO4 A 502
ChainResidue
AGLY217
AARG218
ATYR219
ALYS340
AHOH607
AHOH608
AHOH609
AHOH711
AHOH773

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AGLN453
AARG454
AASN456
AHOH741

site_idAC4
Number of Residues2
Detailsbinding site for residue EDO A 504
ChainResidue
ALYS243
BLYS243

site_idAC5
Number of Residues7
Detailsbinding site for residue SO4 A 505
ChainResidue
AHIS284
AHIS286
ALYS345
ALYS346
AHOH621
AHOH684
AHOH690

site_idAC6
Number of Residues7
Detailsbinding site for residue SO4 A 506
ChainResidue
AARG218
ALYS340
AARG380
AASP438
APRO439
AHOH602
AHOH696

site_idAC7
Number of Residues8
Detailsbinding site for residue SO4 A 507
ChainResidue
AGLN363
ASER364
AHOH640
AHOH694
BILE321
BLYS400
BALA488
BLEU489

site_idAC8
Number of Residues6
Detailsbinding site for residue SO4 A 508
ChainResidue
AILE321
ALYS400
AALA488
ALEU489
AHOH683
BGLN363

site_idAC9
Number of Residues5
Detailsbinding site for residue SO4 A 509
ChainResidue
AASP301
ATHR302
AHOH603
AHOH671
AHOH729

site_idAD1
Number of Residues3
Detailsbinding site for residue SO4 A 510
ChainResidue
APHE324
AHOH605
AHOH734

site_idAD2
Number of Residues6
Detailsbinding site for residue SO4 A 511
ChainResidue
ATYR294
ATHR298
ATHR299
ALEU300
AASP301
ASER304

site_idAD3
Number of Residues4
Detailsbinding site for residue SO4 A 512
ChainResidue
AARG307
AHOH657
AHOH673
AHOH722

site_idAD4
Number of Residues20
Detailsbinding site for residue FH0 B 501
ChainResidue
BASP293
BLYS340
BLEU343
BHOH605
BHOH698
BHOH762
APHE462
ASER463
BVAL214
BVAL222
BALA233
BLYS235
BLEU263
BTHR283
BHIS284
BTYR285
BHIS286
BGLU287
BGLY289
BSER290

site_idAD5
Number of Residues7
Detailsbinding site for residue SO4 B 502
ChainResidue
BARG218
BARG380
BASN437
BASP438
BPRO439
BHOH702
BHOH713

site_idAD6
Number of Residues5
Detailsbinding site for residue EDO B 503
ChainResidue
BPHE431
BASP433
BARG454
BASN456
BHOH683

site_idAD7
Number of Residues3
Detailsbinding site for residue EDO B 504
ChainResidue
AGLU242
BGLU242
BLYS243

site_idAD8
Number of Residues6
Detailsbinding site for residue SO4 B 505
ChainResidue
BARG218
BTYR219
BLYS340
BHOH607
BHOH626
BHOH663

site_idAD9
Number of Residues9
Detailsbinding site for residue SO4 B 506
ChainResidue
AASN231
AHOH700
BTYR479
BGLN480
BASN481
BHOH655
BHOH706
BHOH709
BHOH735

site_idAE1
Number of Residues4
Detailsbinding site for residue SO4 B 507
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH613

site_idAE2
Number of Residues3
Detailsbinding site for residue SO4 B 508
ChainResidue
BASP301
BTHR302
BHOH711

site_idAE3
Number of Residues4
Detailsbinding site for residue SO4 B 509
ChainResidue
ALEU489
BPHE324
BSER364
BHOH651

site_idAE4
Number of Residues6
Detailsbinding site for residue SO4 B 510
ChainResidue
BTHR299
BLEU300
BASP301
BSER304
BHOH611
BHOH737

site_idAE5
Number of Residues3
Detailsbinding site for residue SO4 B 511
ChainResidue
BARG307
BHOH601
BHOH612

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
ALYS235
AVAL214

219869

PDB entries from 2024-05-15

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