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4EUU

Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172

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
Functional Information from PDB Data
site_idAC1
Number of Residues22
DetailsBINDING SITE FOR RESIDUE BX7 A 401
ChainResidue
ALEU15
ACYS89
AGLY92
AGLY139
AMET142
ATHR156
AIOD402
AHOH522
AHOH557
AHOH650
BILE14
AGLN17
BGLN17
BASN22
BHOH523
AGLY18
AALA21
AALA36
ALYS38
AMET86
AGLU87
APHE88

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE IOD A 402
ChainResidue
ATHR156
AASP157
ABX7401
AHOH690

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 403
ChainResidue
AARG187
AARG191
AHOH685
BASN230
BLYS231
BGLU232

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 404
ChainResidue
AARG127
AGLY294
APHE295
AASP296
AHOH580

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 405
ChainResidue
AVAL97
AGLU100
AASN103
APRO108
AGLU111
AHOH655

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 406
ChainResidue
AASP33
ALEU34
AGLU87
APHE88
AHOH544

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL A 407
ChainResidue
AARG271
AHOH676

site_idAC8
Number of Residues23
DetailsBINDING SITE FOR RESIDUE BX7 B 401
ChainResidue
AILE14
AGLN17
AASN22
AHOH539
BLEU15
BGLN17
BGLY18
BALA21
BVAL23
BALA36
BLYS38
BMET86
BGLU87
BPHE88
BCYS89
BGLY92
BGLY139
BMET142
BTHR156
BIOD402
BGOL406
BHOH567
BHOH672

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE IOD B 402
ChainResidue
BMET86
BTHR156
BASP157
BBX7401
BHOH519

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 403
ChainResidue
AASN230
ALYS231
AGLU232
BARG187
BARG191

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL B 404
ChainResidue
AHOH706
BASP166
BGLY294
BPHE295
BASP296
BHOH596
BHOH673

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 405
ChainResidue
BASP33
BLEU34
BPHE35
BGLU87
BPHE88
BHOH615

site_idBC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL B 406
ChainResidue
AHOH564
BPRO90
BCYS91
BGLY92
BTHR96
BBX7401
BHOH672
AGLY0
ALEU11
AHOH539

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL B 407
ChainResidue
BHIS64
BGLY121
BHOH564

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues24
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGQGATANVFrGrhkktgdl..........FAIK
ChainResidueDetails
ALEU15-LYS38

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000305|PubMed:23453971, ECO:0000305|PubMed:23453972, ECO:0000305|PubMed:30842653
ChainResidueDetails
AASN135
BASN135

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
ALEU15
BLEU15

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000305
ChainResidueDetails
ALYS38
BLYS38

site_idSWS_FT_FI4
Number of Residues2
DetailsMOD_RES: Phosphoserine; by autocatalysis and IKKB => ECO:0000269|PubMed:11839743, ECO:0000269|PubMed:22851595, ECO:0000269|PubMed:23746807
ChainResidueDetails
ASEP172
BSEP172

site_idSWS_FT_FI5
Number of Residues4
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:23453971
ChainResidueDetails
ALYS30
BLYS30

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PDB entries from 2024-07-24

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