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4YHF

Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004713molecular_functionprotein tyrosine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004713molecular_functionprotein tyrosine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues21
Detailsbinding site for residue 4C9 A 701
ChainResidue
ALEU408
AGLU475
AMET477
AGLY480
ACYS481
AASN484
ASER538
AASP539
APHE540
ALEU542
AHOH905
AVAL416
AHOH907
AHOH935
AALA428
ALYS430
AMET449
AVAL458
ALEU460
AILE472
ATHR474

site_idAC2
Number of Residues3
Detailsbinding site for residue NA A 702
ChainResidue
ASER623
AGLU624
ACL714

site_idAC3
Number of Residues4
Detailsbinding site for residue NA A 703
ChainResidue
AGLN497
AGLU500
AHOH813
AHOH861

site_idAC4
Number of Residues1
Detailsbinding site for residue NA A 704
ChainResidue
AARG618

site_idAC5
Number of Residues3
Detailsbinding site for residue NA A 705
ChainResidue
AMET570
ACL715
AHOH814

site_idAC6
Number of Residues3
Detailsbinding site for residue NA A 706
ChainResidue
AHIS454
AGLU455
AHOH926

site_idAC7
Number of Residues4
Detailsbinding site for residue NA A 708
ChainResidue
AGLU567
ALYS573
ASER575
AHOH892

site_idAC8
Number of Residues3
Detailsbinding site for residue NA A 709
ChainResidue
AARG520
ASER543
ACL716

site_idAC9
Number of Residues8
Detailsbinding site for residue EDO A 710
ChainResidue
AARG520
AASP521
ATRP563
ASER564
APHE574
AHOH854
AHOH860
AHOH931

site_idAD1
Number of Residues6
Detailsbinding site for residue EDO A 711
ChainResidue
ATHR495
AGLN496
ATYR591
AVAL626
AGLU658
AHOH865

site_idAD2
Number of Residues5
Detailsbinding site for residue SO4 A 712
ChainResidue
ATYR598
AGLU599
AARG600
ATYR617
AHOH852

site_idAD3
Number of Residues5
Detailsbinding site for residue SO4 A 713
ChainResidue
AHIS635
AGLU636
AHOH801
AHOH913
AHOH947

site_idAD4
Number of Residues4
Detailsbinding site for residue CL A 714
ChainResidue
ASER623
AGLU624
ALYS625
ANA702

site_idAD5
Number of Residues4
Detailsbinding site for residue CL A 715
ChainResidue
AHIS491
AGLN497
AMET570
ANA705

site_idAD6
Number of Residues4
Detailsbinding site for residue CL A 716
ChainResidue
AARG520
ASER543
APHE574
ANA709

site_idAD7
Number of Residues4
Detailsbinding site for residue NA A 717
ChainResidue
BTYR598
BGLU599
BARG600
BCL724

site_idAD8
Number of Residues1
Detailsbinding site for residue NA B 701
ChainResidue
AHIS620

site_idAD9
Number of Residues3
Detailsbinding site for residue NA B 702
ChainResidue
AMET489
AARG492
BGLU407

site_idAE1
Number of Residues3
Detailsbinding site for residue NA B 704
ChainResidue
BLEU483
BCL726
BCL727

site_idAE2
Number of Residues2
Detailsbinding site for residue NA B 705
ChainResidue
BSER623
BVAL654

site_idAE3
Number of Residues3
Detailsbinding site for residue NA B 706
ChainResidue
BSER623
BGLU624
BHOH990

site_idAE4
Number of Residues3
Detailsbinding site for residue NA B 707
ChainResidue
BLYS595
BSO4723
BHOH819

site_idAE5
Number of Residues1
Detailsbinding site for residue NA B 708
ChainResidue
BHOH826

site_idAE6
Number of Residues4
Detailsbinding site for residue NA B 709
ChainResidue
BGLY533
BHOH891
BHOH940
BMET501

site_idAE7
Number of Residues6
Detailsbinding site for residue NA B 710
ChainResidue
BTYR591
BLEU621
BALA622
BSER623
BCL725
BHOH854

site_idAE8
Number of Residues3
Detailsbinding site for residue NA B 711
ChainResidue
BLEU614
BARG615
BHOH801

site_idAE9
Number of Residues2
Detailsbinding site for residue NA B 712
ChainResidue
BHOH843
BHOH933

site_idAF1
Number of Residues3
Detailsbinding site for residue NA B 713
ChainResidue
BPRO399
BGLN467
BHOH932

site_idAF2
Number of Residues2
Detailsbinding site for residue NA B 714
ChainResidue
BTYR545
BHOH880

site_idAF3
Number of Residues1
Detailsbinding site for residue NA B 715
ChainResidue
BASN603

site_idAF4
Number of Residues4
Detailsbinding site for residue NA B 716
ChainResidue
BGLU396
BTHR465
BLYS466
BHOH919

site_idAF5
Number of Residues8
Detailsbinding site for residue EDO B 717
ChainResidue
BARG520
BASP521
BTRP563
BSER564
BPHE574
BSER578
BHOH848
BHOH867

site_idAF6
Number of Residues1
Detailsbinding site for residue EDO B 718
ChainResidue
BTYR476

site_idAF7
Number of Residues2
Detailsbinding site for residue EDO B 719
ChainResidue
BSER575
BSER576

site_idAF8
Number of Residues5
Detailsbinding site for residue EDO B 720
ChainResidue
BALA611
BGLY613
BHOH812
BHOH890
BHOH946

site_idAF9
Number of Residues8
Detailsbinding site for residue EDO B 721
ChainResidue
BTRP588
BMET596
BPRO597
BTYR598
BGLU599
BLEU616
BTYR617
BCL724

site_idAG1
Number of Residues4
Detailsbinding site for residue EDO B 722
ChainResidue
BGLU445
BPHE517
BLEU518
BARG520

site_idAG2
Number of Residues6
Detailsbinding site for residue SO4 B 723
ChainResidue
BLYS595
BTYR617
BPRO619
BHIS620
BNA707
BHOH852

site_idAG3
Number of Residues4
Detailsbinding site for residue CL B 724
ChainResidue
ANA717
BTYR598
BEDO721
BHOH820

site_idAG4
Number of Residues1
Detailsbinding site for residue CL B 725
ChainResidue
BNA710

site_idAG5
Number of Residues2
Detailsbinding site for residue CL B 726
ChainResidue
BARG487
BNA704

site_idAG6
Number of Residues5
Detailsbinding site for residue CL B 727
ChainResidue
BLEU483
BARG525
BTRP563
BNA704
BHOH872

site_idAG7
Number of Residues22
Detailsbinding site for Di-peptide 4C9 B 703 and CYS B 481
ChainResidue
BLEU408
BVAL416
BALA428
BLYS430
BMET449
BILE472
BTHR474
BGLU475
BMET477
BGLY480
BLEU482
BLEU483
BASN484
BTYR485
BARG525
BCYS527
BSER538
BASP539
BPHE540
BHOH859
BHOH863
BHOH873

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues23
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGQFGVVKyGkwrgqyd...........VAIK
ChainResidueDetails
ALEU408-LYS430

site_idPS00109
Number of Residues13
DetailsPROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FLHrDLAARNCLV
ChainResidueDetails
APHE517-VAL529

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:PRU10028
ChainResidueDetails
AASP521
BASP521

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU408
ALYS430
BLEU408
BLYS430

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:20052711, ECO:0007744|PDB:3K54, ECO:0007744|PDB:3OCT
ChainResidueDetails
ATHR474
BTHR474

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:21280133, ECO:0007744|PDB:3PIY
ChainResidueDetails
ALEU542
BLEU542

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: Phosphotyrosine; by LYN and SYK => ECO:0000269|PubMed:8630736, ECO:0000269|PubMed:9012831
ChainResidueDetails
ATYR551
BTYR551

site_idSWS_FT_FI6
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER604
BSER604

site_idSWS_FT_FI7
Number of Residues2
DetailsMOD_RES: Phosphotyrosine => ECO:0000269|PubMed:15375214
ChainResidueDetails
ATYR617
BTYR617

site_idSWS_FT_FI8
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0000269|PubMed:15375214
ChainResidueDetails
ASER623
BSER623

site_idSWS_FT_FI9
Number of Residues2
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:19369195
ChainResidueDetails
ASER659
BSER659

222036

PDB entries from 2024-07-03

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