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5S7N

XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a

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 Residues18
Detailsbinding site for residue LU8 A 501
ChainResidue
AVAL214
AASP293
ALYS340
AASN341
ALEU343
AALA353
AASP354
AHOH707
AHOH735
AHOH890
AVAL222
AALA233
ALYS235
ALEU281
ATHR283
ATYR285
AHIS286
AGLY289

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 502
ChainResidue
AHIS259
AGLU260
AILE262
ALEU263
AGLY264
AHIS284
AHIS286

site_idAC3
Number of Residues8
Detailsbinding site for residue EDO A 503
ChainResidue
APHE431
AASP433
AVAL434
AGLN453
AARG454
AASN456
AHOH702
AHOH713

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
AARG445
AVAL450
AHOH634
AHOH637

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 505
ChainResidue
AARG380
ATYR432
AVAL435
APRO436
AASN437
BASN437

site_idAC6
Number of Residues4
Detailsbinding site for residue DMS A 506
ChainResidue
AHOH603
AHOH770
BARG273
BHOH656

site_idAC7
Number of Residues12
Detailsbinding site for residue LU8 A 507
ChainResidue
AVAL204
AALA205
AARG206
ATRP227
AALA267
ALU8508
AEDO515
AEDO516
BASP269
BTHR271
BGLN278
BTRP280

site_idAC8
Number of Residues11
Detailsbinding site for residue LU8 A 508
ChainResidue
ATRP227
AILE266
AASN459
APHE462
ASER463
ALU8507
AHOH603
BSER272
BARG273
BSER276
BHOH734

site_idAC9
Number of Residues3
Detailsbinding site for residue 2AI A 509
ChainResidue
AVAL359
ATYR399
ASO4513

site_idAD1
Number of Residues9
Detailsbinding site for residue SO4 A 510
ChainResidue
AHIS286
ALYS345
ALYS346
AHOH620
AHOH647
AHOH685
AHOH700
AHOH729
AHOH772

site_idAD2
Number of Residues8
Detailsbinding site for residue SO4 A 511
ChainResidue
AASN456
APRO458
AASN459
AHOH677
AHOH678
AHOH836
AHOH855
BHIS274

site_idAD3
Number of Residues9
Detailsbinding site for residue SO4 A 512
ChainResidue
AARG380
AASP438
APRO439
AHOH660
AHOH684
AHOH736
AHOH737
AHOH756
AHOH804

site_idAD4
Number of Residues6
Detailsbinding site for residue SO4 A 513
ChainResidue
AARG247
AARG335
ALEU357
AARG375
A2AI509
AHOH797

site_idAD5
Number of Residues9
Detailsbinding site for residue EDO A 514
ChainResidue
AVAL255
AMET256
ALEU257
AARG258
AHIS318
AGLY328
AHOH625
AHOH696
AHOH788

site_idAD6
Number of Residues1
Detailsbinding site for residue EDO A 515
ChainResidue
ALU8507

site_idAD7
Number of Residues5
Detailsbinding site for residue EDO A 516
ChainResidue
AASN421
AILE423
ASER463
ALU8507
AHOH659

site_idAD8
Number of Residues3
Detailsbinding site for residue EDO A 517
ChainResidue
AGLY217
AARG218
ATYR219

site_idAD9
Number of Residues5
Detailsbinding site for residue EDO A 518
ChainResidue
AARG416
ATYR432
AHOH612
AHOH818
AHOH830

site_idAE1
Number of Residues16
Detailsbinding site for residue LU8 B 501
ChainResidue
BVAL214
BALA233
BLYS235
BGLU248
BLEU281
BTHR283
BTYR285
BHIS286
BGLY289
BASP293
BLYS340
BASN341
BLEU343
BALA353
BHOH688
BHOH769

site_idAE2
Number of Residues9
Detailsbinding site for residue SO4 B 502
ChainResidue
BHIS286
BLYS345
BLYS346
BHOH633
BHOH659
BHOH701
BHOH747
BHOH759
BHOH799

site_idAE3
Number of Residues8
Detailsbinding site for residue EDO B 503
ChainResidue
BPHE431
BASP433
BVAL434
BGLN453
BARG454
BASN456
BHOH637
BHOH745

site_idAE4
Number of Residues2
Detailsbinding site for residue DMS B 504
ChainResidue
BARG490
BLYS493

site_idAE5
Number of Residues6
Detailsbinding site for residue 2AI B 505
ChainResidue
BLEU495
BTHR496
BILE498
BASP499
BHOH616
BHOH687

site_idAE6
Number of Residues5
Detailsbinding site for residue SO4 B 506
ChainResidue
BGLY217
BARG218
BTYR219
BHOH608
BHOH615

site_idAE7
Number of Residues3
Detailsbinding site for residue SO4 B 507
ChainResidue
BTHR378
BLYS379
BHOH825

site_idAE8
Number of Residues7
Detailsbinding site for residue EDO B 508
ChainResidue
BHIS259
BGLU260
BILE262
BGLY264
BHIS284
BHIS286
BHOH824

site_idAE9
Number of Residues4
Detailsbinding site for residue EDO B 509
ChainResidue
BTYR479
BGLN480
BASN481
BHOH753

site_idAF1
Number of Residues4
Detailsbinding site for residue EDO B 510
ChainResidue
BVAL419
BGLY422
BHOH653
BHOH845

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 2024-09-11

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