Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T78429 | Target Info | |||
| Target Name | Inhibitor of nuclear factor kappa-B kinase beta (IKKB) | ||||
| Synonyms | Nuclear factor NF-kappa-B inhibitor kinase beta; NFKBIKB; Inhibitor of nuclear factor kappa-B kinase subunit beta; IkBKB; IKKB; IKK2; IKK-beta; IKK-B; I-kappa-B-kinase beta; I-kappa-B kinase 2 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | IKBKB | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: K252a | Ligand Info | |||||
| Structure Description | Human IkB kinase beta | PDB:4KIK | ||||
| Method | X-ray diffraction | Resolution | 2.83 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
TQTCGAWEMK 18 ERLGTGNVIR31 WHNQETGEQI41 AIKQCRQELS51 PRNRERWCLE61 IQIMRRLTHP 71 NVVAARDVPE81 GMQNDLPLLA95 MEYCQGGDLR105 KYLNQFENCC115 GLREGAILTL 125 LSDIASALRY135 LHENRIIHRD145 LKPENIVLQQ155 GEQRLIHKII165 DLGYTSFVGT 185 LQYLAPELLE195 QQKYTVTVDY205 WSFGTLAFEC215 ITGFRPFLPN225 WQPVQWHSKV 235 RQKSEVDIVV245 SEDLNGTVKF255 SSLPYPNNLN266 SVLAERLEKW276 LQLMLMWHPR 286 QRGTDPTYGP296 NGCFKALDDI306 LNLKLVHILN316 MVTGTIHTYP326 VTEDESLQSL 336 KARIQQDTGI346 PEEDQELLQE356 AGLALIPDKP366 ATQCISLNEG379 HTLDMDLVFL 389 FDNSKITYET399 QRPQPESVSC412 ILQEPKRNLA422 FFQLRKVWGQ432 VWHSIQTLKE 442 DCNRLQQGQR452 AAMMNLLRNN462 SCLSKMKNSM472 ASMSQQLKAK482 LDFFKTSIQI 492 DLEKYSEQTD508 KLLLAWREME518 QAVELCGREN528 EVKLLVERMM538 ALQTDIVDLQ 548 RSGTLDDLEE565 QARELYRRLR575 EKPRDQRTEG585 DSQEMVRLLL595 QAIQSFEKKV 605 RVIYTQLSKT615 VVCKQKALEL625 LPKVEEVVSL635 MNEDEKTVVR645 LQEKRQKELW 655 NLLKIACS> Chain B HSWSPSLTTQ 10 TCGAWEMKER20 LGTGGFGNVI30 RWHNQETGEQ40 IAIKQCRQEL50 SPRNRERWCL 60 EIQIMRRLTH70 PNVVAARDVP80 EGMQNLAPND90 LPLLAMEYCQ100 GGDLRKYLNQ 110 FENCCGLREG120 AILTLLSDIA130 SALRYLHENR140 IIHRDLKPEN150 IVLQQGEQRL 160 IHKIIDLGYA170 KELLCTFVGT185 LQYLAPELLE195 QQKYTVTVDY205 WSFGTLAFEC 215 ITGFRPFLPN225 WQPVQWHSKV235 RQKSEVDIVV245 SEDLNGTVKF255 SSSLPYPNNL 265 NSVLAERLEK275 WLQLMLMWHP285 RQRGTDPTYG295 PNGCFKALDD305 ILNLKLVHIL 315 NMVTGTIHTY325 PVTEDESLQS335 LKARIQQDTG345 IPEEDQELLQ355 EAGLALIPDK 365 PATQCISLNE378 GHTLDMDLVF388 LFDNSKITYE398 TQISPRPQPE408 SVSCILQEPK 418 RNLAFFQLRK428 VWGQVWHSIQ438 TLKEDCNRLQ448 QGQRAAMMNL458 LRNNSCLSKM 468 KNSMASMSQQ478 LKAKLDFFKT488 SIQIDLEKYS498 EQTEFGITSD508 KLLLAWREME 518 QAVELCGREN528 EVKLLVERMM538 ALQTDIVDLQ548 RSGTLDDLEE565 QARELYRRLR 575 EKPRDQRTEG585 DSQEMVRLLL595 QAIQSFEKKV605 RVIYTQLSKT615 VVCKQKALEL 625 LPKVEEVVSL635 MNEDEKTVVR645 LQEKRQKELW655 NLLKIACS
|
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|
|
LEU21[A]
3.402
GLY22[A]
3.403
THR23[A]
3.698
VAL29[A]
3.675
ALA42[A]
3.397
LYS44[A]
3.755
GLU61[A]
4.544
VAL74[A]
4.124
MET96[A]
3.699
GLU97[A]
2.956
TYR98[A]
3.646
CYS99[A]
2.929
GLY102[A]
3.484
ASP103[A]
3.761
GLU149[A]
2.713
ASN150[A]
3.777
VAL152[A]
3.812
ILE165[A]
3.437
ASP166[A]
3.726
LEU21[B]
3.153
GLY22[B]
3.318
THR23[B]
3.884
ASN28[B]
4.430
VAL29[B]
3.677
ALA42[B]
3.515
LYS44[B]
3.682
VAL74[B]
4.272
MET96[B]
3.590
GLU97[B]
2.718
TYR98[B]
3.242
CYS99[B]
2.698
GLY102[B]
3.527
ASP103[B]
3.890
LYS147[B]
4.930
GLU149[B]
2.566
ASN150[B]
3.544
VAL152[B]
3.822
ILE165[B]
3.264
ASP166[B]
3.217
|
|||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Human IkB kinase beta | PDB:4KIK | ||||
| Method | X-ray diffraction | Resolution | 2.83 Å | Mutation | No | [1] |
| PDB Sequence |
> Chain A
TQTCGAWEMK 18 ERLGTGNVIR31 WHNQETGEQI41 AIKQCRQELS51 PRNRERWCLE61 IQIMRRLTHP 71 NVVAARDVPE81 GMQNDLPLLA95 MEYCQGGDLR105 KYLNQFENCC115 GLREGAILTL 125 LSDIASALRY135 LHENRIIHRD145 LKPENIVLQQ155 GEQRLIHKII165 DLGYTSFVGT 185 LQYLAPELLE195 QQKYTVTVDY205 WSFGTLAFEC215 ITGFRPFLPN225 WQPVQWHSKV 235 RQKSEVDIVV245 SEDLNGTVKF255 SSLPYPNNLN266 SVLAERLEKW276 LQLMLMWHPR 286 QRGTDPTYGP296 NGCFKALDDI306 LNLKLVHILN316 MVTGTIHTYP326 VTEDESLQSL 336 KARIQQDTGI346 PEEDQELLQE356 AGLALIPDKP366 ATQCISLNEG379 HTLDMDLVFL 389 FDNSKITYET399 QRPQPESVSC412 ILQEPKRNLA422 FFQLRKVWGQ432 VWHSIQTLKE 442 DCNRLQQGQR452 AAMMNLLRNN462 SCLSKMKNSM472 ASMSQQLKAK482 LDFFKTSIQI 492 DLEKYSEQTD508 KLLLAWREME518 QAVELCGREN528 EVKLLVERMM538 ALQTDIVDLQ 548 RSGTLDDLEE565 QARELYRRLR575 EKPRDQRTEG585 DSQEMVRLLL595 QAIQSFEKKV 605 RVIYTQLSKT615 VVCKQKALEL625 LPKVEEVVSL635 MNEDEKTVVR645 LQEKRQKELW 655 NLLKIACS> Chain B HSWSPSLTTQ 10 TCGAWEMKER20 LGTGGFGNVI30 RWHNQETGEQ40 IAIKQCRQEL50 SPRNRERWCL 60 EIQIMRRLTH70 PNVVAARDVP80 EGMQNLAPND90 LPLLAMEYCQ100 GGDLRKYLNQ 110 FENCCGLREG120 AILTLLSDIA130 SALRYLHENR140 IIHRDLKPEN150 IVLQQGEQRL 160 IHKIIDLGYA170 KELLCTFVGT185 LQYLAPELLE195 QQKYTVTVDY205 WSFGTLAFEC 215 ITGFRPFLPN225 WQPVQWHSKV235 RQKSEVDIVV245 SEDLNGTVKF255 SSSLPYPNNL 265 NSVLAERLEK275 WLQLMLMWHP285 RQRGTDPTYG295 PNGCFKALDD305 ILNLKLVHIL 315 NMVTGTIHTY325 PVTEDESLQS335 LKARIQQDTG345 IPEEDQELLQ355 EAGLALIPDK 365 PATQCISLNE378 GHTLDMDLVF388 LFDNSKITYE398 TQISPRPQPE408 SVSCILQEPK 418 RNLAFFQLRK428 VWGQVWHSIQ438 TLKEDCNRLQ448 QGQRAAMMNL458 LRNNSCLSKM 468 KNSMASMSQQ478 LKAKLDFFKT488 SIQIDLEKYS498 EQTEFGITSD508 KLLLAWREME 518 QAVELCGREN528 EVKLLVERMM538 ALQTDIVDLQ548 RSGTLDDLEE565 QARELYRRLR 575 EKPRDQRTEG585 DSQEMVRLLL595 QAIQSFEKKV605 RVIYTQLSKT615 VVCKQKALEL 625 LPKVEEVVSL635 MNEDEKTVVR645 LQEKRQKELW655 NLLKIACS
|
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|
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VAL241[A]
3.120
ASP242[A]
3.622
ILE243[A]
3.733
PHE255[A]
4.224
SER256[A]
1.329
SER258[A]
1.351
LEU259[A]
4.306
GLU274[A]
3.610
GLN278[A]
3.470
ARG53[B]
4.707
ARG57[B]
4.871
ARG144[B]
2.733
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of a human IB kinase asymmetric dimer. J Biol Chem. 2013 Aug 2;288(31):22758-67. | ||||
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