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5JSM

BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
C0004672molecular_functionprotein kinase activity
C0005524molecular_functionATP binding
C0006468biological_processprotein phosphorylation
D0004672molecular_functionprotein kinase activity
D0005524molecular_functionATP binding
D0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues2
Detailsbinding site for residue DMS A 801
ChainResidue
AHIS568
APHE635

site_idAC2
Number of Residues8
Detailsbinding site for residue DMS A 802
ChainResidue
B6NB801
AGLY464
ASER465
AGLY466
AASN580
AHOH927
AHOH929
AHOH969

site_idAC3
Number of Residues1
Detailsbinding site for residue DMS A 803
ChainResidue
ALEU678

site_idAC4
Number of Residues9
Detailsbinding site for residue BEN A 804
ChainResidue
ATRP450
AARG509
APHE516
AMET517
DASP449
DTRP450
DGLU451
DMET517
DCL802

site_idAC5
Number of Residues2
Detailsbinding site for residue EOH A 805
ChainResidue
AASP587
DGLY455

site_idAC6
Number of Residues39
Detailsbinding site for residue 6NB B 801
ChainResidue
AGLN461
AILE463
AVAL471
AALA481
ALYS483
ALEU514
ATHR529
AGLN530
ATRP531
ACYS532
ASER535
AHIS539
APHE583
AGLY593
AASP594
APHE595
AGLY596
ADMS802
AHOH927
BGLN461
BILE463
BVAL471
BALA481
BLYS483
BLEU514
BTHR529
BGLN530
BTRP531
BCYS532
BSER535
BHIS539
BPHE583
BGLY593
BASP594
BPHE595
BGLY596
BDMS802
BHOH911
BHOH926

site_idAC7
Number of Residues4
Detailsbinding site for residue DMS B 802
ChainResidue
BGLY464
BSER465
BVAL471
B6NB801

site_idAC8
Number of Residues5
Detailsbinding site for residue CL B 803
ChainResidue
BPHE447
BLYS499
BVAL502
BGLY503
BARG506

site_idAC9
Number of Residues2
Detailsbinding site for residue EOH B 805
ChainResidue
BLEU485
BVAL487

site_idAD1
Number of Residues3
Detailsbinding site for residue GOL B 806
ChainResidue
BLYS507
BTYR566
BLYS570

site_idAD2
Number of Residues8
Detailsbinding site for residue BEN B 807
ChainResidue
BASP449
BTRP450
BMET517
BCL808
CTRP450
CARG509
CMET517
CHOH938

site_idAD3
Number of Residues4
Detailsbinding site for residue CL B 808
ChainResidue
BTRP450
BPHE516
BBEN807
CHOH938

site_idAD4
Number of Residues36
Detailsbinding site for residue 6NB C 801
ChainResidue
CPHE583
CGLY593
CASP594
CPHE595
CGLY596
CDMS802
CHOH917
DGLN461
DILE463
DVAL471
DALA481
DLYS483
DLEU514
DTHR529
DGLN530
DTRP531
DCYS532
DSER535
DPHE583
DGLY593
DASP594
DPHE595
DGLY596
DHOH929
CGLN461
CILE463
CVAL471
CALA481
CLYS483
CLEU514
CTHR529
CGLN530
CTRP531
CCYS532
CSER535
CHIS539

site_idAD5
Number of Residues3
Detailsbinding site for residue DMS C 802
ChainResidue
CILE463
CHIS539
C6NB801

site_idAD6
Number of Residues3
Detailsbinding site for residue DMS D 801
ChainResidue
DSER465
DASN580
DHOH929

site_idAD7
Number of Residues4
Detailsbinding site for residue CL D 802
ChainResidue
ABEN804
AHOH960
DTRP450
DPHE516

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues21
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. IGSGSFGTVYkGkwhgd.............VAVK
ChainResidueDetails
AILE463-LYS483

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKsnNIFL
ChainResidueDetails
AILE572-LEU584

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027
ChainResidueDetails
AASP576
BASP576
CASP576
DASP576

site_idSWS_FT_FI2
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AILE463
ALYS483
BILE463
BLYS483
CILE463
CLYS483
DILE463
DLYS483

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: Omega-N-methylarginine; by PRMT5 => ECO:0000269|PubMed:21917714
ChainResidueDetails
AARG671
BARG671
CARG671
DARG671

site_idSWS_FT_FI4
Number of Residues8
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:23907581
ChainResidueDetails
ALYS578
BLYS578
CLYS578
DLYS578

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PDB entries from 2024-07-24

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