Backbone and side chain 1H, 13C, and 15N Chemical Shift Assignments for N-TIMP-1 in N-TIMP-1/MMP-3(E202Q) Complex
CTCVPPHPQT AFCNSDLVIR AKFVGTPEVN QTTLYQRYEI KMTKMYKGFQ ALGDAADIRF VYTPAMESVC GYFHRSHNRS EEFLIAGKLQ DGLLHITTCS FVAPWNSLSL AQRRGFTKTY TVGCEE
FRTFPGIPKW RKTHLTYRIV NYTPDLPKDA VDSAVEKALK VWEEVTPLTF SRLYEGEADI MISFAVREHG DFYPFDGPGN VLAHAYAPGP GINGDAHFDD DEQWTKDTTG TNLFLVAAHQ IGHSLGLFHS ANTEALMYPL YHSLTDLTRF RLSQDDINGI QSLYGPPPDS PET
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS1:SG | 1:CYS70:SG |
2 | disulfide | sing | 1:CYS3:SG | 1:CYS99:SG |
3 | disulfide | sing | 1:CYS13:SG | 1:CYS124:SG |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 24.7 % (855 of 3467) | 22.6 % (403 of 1786) | 24.5 % (337 of 1378) | 38.0 % (115 of 303) |
Backbone | 33.5 % (588 of 1754) | 33.7 % (202 of 599) | 30.9 % (271 of 876) | 41.2 % (115 of 279) |
Sidechain | 16.3 % (324 of 1991) | 16.9 % (201 of 1187) | 15.8 % (123 of 780) | 0.0 % (0 of 24) |
Aromatic | 0.0 % (0 of 388) | 0.0 % (0 of 194) | 0.0 % (0 of 190) | 0.0 % (0 of 4) |
Methyl | 28.8 % (90 of 312) | 30.8 % (48 of 156) | 26.9 % (42 of 156) |
1. N-terminus of Tissue Inhibitor of Metalloproteinases-1/Matrix MetalloProteinases-3(catalytic domain) complex
CTCVPPHPQT AFCNSDLVIR AKFVGTPEVN QTTLYQRYEI KMTKMYKGFQ ALGDAADIRF VYTPAMESVC GYFHRSHNRS EEFLIAGKLQ DGLLHITTCS FVAPWNSLSL AQRRGFTKTY TVGCEE2. Metalloproteinases-1/Matrix MetalloProteinase-3(catalytic domain, residue 83-255)
FRTFPGIPKW RKTHLTYRIV NYTPDLPKDA VDSAVEKALK VWEEVTPLTF SRLYEGEADI MISFAVREHG DFYPFDGPGN VLAHAYAPGP GINGDAHFDD DEQWTKDTTG TNLFLVAAHQ IGHSLGLFHS ANTEALMYPL YHSLTDLTRF RLSQDDINGI QSLYGPPPDS PETTemperature 307 (±0.5) K, pH 6.22 (±0.05)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminus of Tissue Inhibitor of Metalloproteinases-1/Matrix MetalloProteinases-3(catalytic domain) complex | [U-13C; U-15N] | 0.66 mM | |
2 | Metalloproteinases-1/Matrix MetalloProteinase-3(catalytic domain, residue 83-255) | 0.66 mM | ||
3 | Tris | [U-2H] | 20 mM | |
4 | NaCl | 125 mM | ||
5 | CaCl2 | 10 mM | ||
6 | NaN3 | 1 mM | ||
7 | ZnCl2 | 50 uM | ||
8 | D2O | 7 % | ||
9 | H2O | 93 % |