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5T8P

Crystal structure of murine NF-kappaB inducing kinase (NIK) bound to benzoxepin compound 2

Functional Information from GO Data
ChainGOidnamespacecontents
A0004672molecular_functionprotein kinase activity
A0004674molecular_functionprotein serine/threonine kinase activity
A0005524molecular_functionATP binding
A0006468biological_processprotein phosphorylation
B0004672molecular_functionprotein kinase activity
B0004674molecular_functionprotein serine/threonine kinase activity
B0005524molecular_functionATP binding
B0006468biological_processprotein phosphorylation
Functional Information from PDB Data
site_idAC1
Number of Residues9
Detailsbinding site for residue 774 A 701
ChainResidue
AVAL416
AALA429
AMET471
AGLU472
ALEU473
ALEU474
AASP521
ALEU524
AASP536

site_idAC2
Number of Residues6
Detailsbinding site for residue SO4 A 702
ChainResidue
APRO406
AVAL408
AGLY409
AARG410
AHIS417
AARG418

site_idAC3
Number of Residues3
Detailsbinding site for residue SO4 A 703
ChainResidue
AARG637
ALYS638
AGLU639

site_idAC4
Number of Residues4
Detailsbinding site for residue SO4 B 701
ChainResidue
BARG637
BLYS638
BGLU639
BHIS642

site_idAC5
Number of Residues8
Detailsbinding site for residue SO4 B 702
ChainResidue
BHIS404
BPRO406
BVAL408
BGLY409
BVAL416
BHIS417
BARG418
BHOH846

site_idAC6
Number of Residues9
Detailsbinding site for residue 774 B 703
ChainResidue
BVAL416
BALA429
BMET471
BGLU472
BLEU473
BLEU474
BASP521
BLEU524
BASP536

Functional Information from PROSITE/UniProt
site_idPS00107
Number of Residues25
DetailsPROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. VGRGSFGEVHrMkdkqtgfqc.........AVKK
ChainResidueDetails
AVAL408-LYS432

site_idPS00108
Number of Residues13
DetailsPROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IlHgDVKadNVLL
ChainResidueDetails
AILE513-LEU525

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
AASP517
BASP517

site_idSWS_FT_FI2
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159
ChainResidueDetails
AVAL408
ALYS431
BVAL408
BLYS431

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:Q99558
ChainResidueDetails
ATHR561
BTHR561

218853

PDB entries from 2024-04-24

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