Interaction of the TAZ1 domain of CREB-binding protein with the activation domain of CITED2: Regulation by competition between intrinsically unstructured ligands for non-identical binding sites
ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKR
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 2:HIS23:NE2 | 3:ZN1:ZN |
2 | na | sing | 2:CYS27:SG | 3:ZN1:ZN |
3 | na | sing | 2:CYS40:SG | 3:ZN1:ZN |
4 | na | sing | 2:CYS45:SG | 3:ZN1:ZN |
5 | na | sing | 2:HIS54:NE2 | 3:ZN1:ZN |
6 | na | sing | 2:CYS58:SG | 3:ZN1:ZN |
7 | na | sing | 2:CYS64:SG | 3:ZN1:ZN |
8 | na | sing | 2:CYS69:SG | 3:ZN1:ZN |
9 | na | sing | 2:HIS78:NE2 | 3:ZN1:ZN |
10 | na | sing | 2:CYS82:SG | 3:ZN1:ZN |
11 | na | sing | 2:CYS87:SG | 3:ZN1:ZN |
12 | na | sing | 2:CYS90:SG | 3:ZN1:ZN |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 31.2 % (554 of 1773) | 32.3 % (301 of 932) | 28.9 % (196 of 678) | 35.0 % (57 of 163) |
Backbone | 30.9 % (276 of 892) | 36.3 % (109 of 300) | 25.7 % (115 of 448) | 36.1 % (52 of 144) |
Sidechain | 32.3 % (332 of 1027) | 30.4 % (192 of 632) | 35.9 % (135 of 376) | 26.3 % (5 of 19) |
Aromatic | 25.0 % (24 of 96) | 25.0 % (12 of 48) | 23.9 % (11 of 46) | 50.0 % (1 of 2) |
Methyl | 36.4 % (56 of 154) | 35.1 % (27 of 77) | 37.7 % (29 of 77) |
1. CITED2 C-terminal activation domain
MTDFIDEEVL MSLVIEMGLD RIKELPELWL GQNEFDFMTD FVCKQQPSRV S2. CBP TAZ1 domain
ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKRTemperature 298 (±1) K, pH 6.8 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CITED2 C-terminal activation domain | [U-13C; U-15N] | 0.5 mM | |
2 | CBP TAZ1 domain | 0.5 mM | ||
3 | Tris-d11 | 10 mM | ||
4 | NaN3 | 2 mM | ||
5 | D2O | 10 % | ||
6 | H2O | 90 % |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 42.0 % (1490 of 3546) | 43.1 % (804 of 1864) | 38.9 % (527 of 1356) | 48.8 % (159 of 326) |
Backbone | 43.2 % (771 of 1784) | 50.3 % (302 of 600) | 36.4 % (326 of 896) | 49.7 % (143 of 288) |
Sidechain | 42.4 % (871 of 2054) | 39.7 % (502 of 1264) | 46.9 % (353 of 752) | 42.1 % (16 of 38) |
Aromatic | 33.3 % (64 of 192) | 33.3 % (32 of 96) | 32.6 % (30 of 92) | 50.0 % (2 of 4) |
Methyl | 50.0 % (154 of 308) | 49.4 % (76 of 154) | 50.6 % (78 of 154) |
1. CITED2 C-terminal activation domain
MTDFIDEEVL MSLVIEMGLD RIKELPELWL GQNEFDFMTD FVCKQQPSRV S2. CBP TAZ1 domain
ATGPTADPEK RKLIQQQLVL LLHAHKCQRR EQANGEVRAC SLPHCRTMKN VLNHMTHCQA GKACQVAHCA SSRQIISHWK NCTRHDCPVC LPLKNASDKRTemperature 298 (±1) K, pH 6.8 (±0.2)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | CITED2 C-terminal activation domain | 0.5 mM | ||
8 | CBP TAZ1 domain | [U-13C; U-15N] | 0.5 mM | |
9 | Tris-d11 | 10 mM | ||
10 | NaN3 | 2 mM | ||
11 | D2O | 10 % | ||
12 | H2O | 90 % |