- PDB-7q9b: MHC Class I A02 Allele presenting EAAGIGILTV, in complex with Mel8 TCR -
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基本情報
登録情報
データベース: PDB / ID: 7q9b
タイトル
MHC Class I A02 Allele presenting EAAGIGILTV, in complex with Mel8 TCR
要素
(Human T Cell Receptor Mel8, ...) x 2
Beta-2-microglobulin
GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL
MHC class I antigen
キーワード
IMMUNE SYSTEM / Melanoma epitope / Autoimmunity
機能・相同性
機能・相同性情報
: / : / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / negative regulation of receptor binding / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC ...: / : / positive regulation of receptor binding / early endosome lumen / Nef mediated downregulation of MHC class I complex cell surface expression / negative regulation of receptor binding / DAP12 interactions / cellular response to iron ion / Endosomal/Vacuolar pathway / Antigen Presentation: Folding, assembly and peptide loading of class I MHC / peptide antigen assembly with MHC class II protein complex / cellular response to iron(III) ion / antigen processing and presentation of exogenous protein antigen via MHC class Ib, TAP-dependent / MHC class II protein complex / negative regulation of forebrain neuron differentiation / ER to Golgi transport vesicle membrane / peptide antigen assembly with MHC class I protein complex / regulation of erythrocyte differentiation / regulation of iron ion transport / MHC class I peptide loading complex / response to molecule of bacterial origin / HFE-transferrin receptor complex / T cell mediated cytotoxicity / antigen processing and presentation of endogenous peptide antigen via MHC class I / positive regulation of T cell cytokine production / antigen processing and presentation of exogenous peptide antigen via MHC class II / MHC class I protein complex / positive regulation of immune response / peptide antigen binding / negative regulation of neurogenesis / positive regulation of T cell mediated cytotoxicity / positive regulation of receptor-mediated endocytosis / multicellular organismal-level iron ion homeostasis / positive regulation of T cell activation / cellular response to nicotine / specific granule lumen / recycling endosome membrane / phagocytic vesicle membrane / positive regulation of cellular senescence / Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell / negative regulation of epithelial cell proliferation / Interferon gamma signaling / MHC class II protein complex binding / positive regulation of protein binding / Modulation by Mtb of host immune system / late endosome membrane / sensory perception of smell / tertiary granule lumen / DAP12 signaling / negative regulation of neuron projection development / iron ion transport / T cell differentiation in thymus / ER-Phagosome pathway / protein refolding / early endosome membrane / protein homotetramerization / amyloid fibril formation / intracellular iron ion homeostasis / learning or memory / Amyloid fiber formation / endoplasmic reticulum lumen / Golgi membrane / external side of plasma membrane / lysosomal membrane / focal adhesion / Neutrophil degranulation / SARS-CoV-2 activates/modulates innate and adaptive immune responses / structural molecule activity / endoplasmic reticulum / Golgi apparatus / protein homodimerization activity / extracellular space / extracellular exosome / extracellular region / identical protein binding / membrane / plasma membrane / cytosol 類似検索 - 分子機能
MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. ...MHC class I alpha chain, alpha1 alpha2 domains / Class I Histocompatibility antigen, domains alpha 1 and 2 / Beta-2-Microglobulin / : / MHC class I-like antigen recognition-like / MHC class I-like antigen recognition-like superfamily / MHC classes I/II-like antigen recognition protein / : / Immunoglobulin/major histocompatibility complex, conserved site / Immunoglobulins and major histocompatibility complex proteins signature. / Immunoglobulin C-Type / Immunoglobulin C1-set / Immunoglobulin C1-set domain / Ig-like domain profile. / Immunoglobulin-like domain / Immunoglobulin-like domain superfamily / Immunoglobulin-like fold 類似検索 - ドメイン・相同性
Beta-2-microglobulin / MHC class I antigen 類似検索 - 構成要素
AAA: MHC class I antigen BBB: Beta-2-microglobulin CCC: GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL DDD: Human T Cell Receptor Mel8, Alpha Chain EEE: Human T Cell Receptor Mel8, Beta Chain FFF: MHC class I antigen GGG: Beta-2-microglobulin HHH: GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL III: Human T Cell Receptor Mel8, Alpha Chain JJJ: Human T Cell Receptor Mel8, Beta Chain ヘテロ分子
解像度: 3.24→99.686 Å / Cor.coef. Fo:Fc: 0.897 / Cor.coef. Fo:Fc free: 0.856 / SU B: 89.445 / SU ML: 0.636 / 交差検証法: FREE R-VALUE / ESU R Free: 0.575 / 詳細: Hydrogens have been added in their riding positions
Rfactor
反射数
%反射
Rfree
0.2765
1742
4.98 %
Rwork
0.2264
33241
-
all
0.229
-
-
obs
-
34983
99.894 %
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK BULK SOLVENT
原子変位パラメータ
Biso mean: 56.356 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.525 Å2
0 Å2
-0.611 Å2
2-
-
-1.764 Å2
0 Å2
3-
-
-
2.355 Å2
精密化ステップ
サイクル: LAST / 解像度: 3.24→99.686 Å
タンパク質
核酸
リガンド
溶媒
全体
原子数
13160
0
8
53
13221
拘束条件
Refine-ID
タイプ
Dev ideal
Dev ideal target
数
X-RAY DIFFRACTION
r_bond_refined_d
0.011
0.013
13521
X-RAY DIFFRACTION
r_bond_other_d
0.002
0.015
12057
X-RAY DIFFRACTION
r_angle_refined_deg
1.452
1.651
18371
X-RAY DIFFRACTION
r_angle_other_deg
1.126
1.582
27796
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
8.226
5
1633
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
33.518
22.277
786
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
19.074
15
2173
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.531
15
94
X-RAY DIFFRACTION
r_chiral_restr
0.054
0.2
1708
X-RAY DIFFRACTION
r_gen_planes_refined
0.005
0.02
15588
X-RAY DIFFRACTION
r_gen_planes_other
0.002
0.02
3312
X-RAY DIFFRACTION
r_nbd_refined
0.21
0.2
2627
X-RAY DIFFRACTION
r_symmetry_nbd_other
0.184
0.2
12088
X-RAY DIFFRACTION
r_nbtor_refined
0.169
0.2
5975
X-RAY DIFFRACTION
r_symmetry_nbtor_other
0.075
0.2
7043
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.16
0.2
316
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_other
0.034
0.2
3
X-RAY DIFFRACTION
r_symmetry_nbd_refined
0.246
0.2
40
X-RAY DIFFRACTION
r_nbd_other
0.243
0.2
93
X-RAY DIFFRACTION
r_symmetry_xyhbond_nbd_refined
0.269
0.2
12
X-RAY DIFFRACTION
r_mcbond_it
0.043
0.402
6562
X-RAY DIFFRACTION
r_mcbond_other
0.043
0.401
6561
X-RAY DIFFRACTION
r_mcangle_it
0.081
0.602
8185
X-RAY DIFFRACTION
r_mcangle_other
0.081
0.602
8186
X-RAY DIFFRACTION
r_scbond_it
0.022
0.402
6959
X-RAY DIFFRACTION
r_scbond_other
0.022
0.402
6960
X-RAY DIFFRACTION
r_scangle_it
0.042
0.6
10186
X-RAY DIFFRACTION
r_scangle_other
0.042
0.601
10187
X-RAY DIFFRACTION
r_lrange_it
1.266
4.435
14405
X-RAY DIFFRACTION
r_lrange_other
1.266
4.434
14403
X-RAY DIFFRACTION
r_ncsr_local_group_1
0.104
0.05
8481
X-RAY DIFFRACTION
r_ncsr_local_group_2
0.111
0.05
2959
X-RAY DIFFRACTION
r_ncsr_local_group_3
0.166
0.05
4795
X-RAY DIFFRACTION
r_ncsr_local_group_4
0.147
0.05
6958
Refine LS restraints NCS
Ens-ID
Dom-ID
Auth asym-ID
Refine-ID
タイプ
Rms dev position (Å)
Weight position
1
1
AAA
X-RAY DIFFRACTION
Localncs
0.10355
0.05009
1
2
FFF
X-RAY DIFFRACTION
Localncs
0.10355
0.05009
2
3
BBB
X-RAY DIFFRACTION
Localncs
0.11086
0.05008
2
4
GGG
X-RAY DIFFRACTION
Localncs
0.11086
0.05008
3
5
DDD
X-RAY DIFFRACTION
Localncs
0.16554
0.05008
3
6
III
X-RAY DIFFRACTION
Localncs
0.16554
0.05008
4
7
EEE
X-RAY DIFFRACTION
Localncs
0.14714
0.05009
4
8
JJJ
X-RAY DIFFRACTION
Localncs
0.14714
0.05009
LS精密化 シェル
Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20