NMR Solution Structure of the PRO Form of Human Matrilysin (proMMP-7) in Complex with Zwitterionic Membrane
LPQEAGGMSE LQWEQAQDYL KRFYLYDSET KNANSLEAKL KEMQKFFGLP ITGMLNSRVI EIMQKPRCGV PDVAEYSLFP NSPKWTSKVV TYRIVSYTRD LPHITVDRLV SKALNMWGKE IPLHFRKVVW GTADIMIGFA RGAHGDSYPF DGPGNTLAHA FAPGTGLGGD AHFDEDERWT DGSSLGINFL YAATHALGHS LGMGHSSDPN AVMYPTYGNG DPQNFKLSQD DIKGIQKLYG KRSNSRKK
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:ASP72:OD2 | 3:ZN1:ZN |
2 | metal coordination | sing | 1:ASP146:OD1 | 3:ZN1:ZN |
3 | metal coordination | sing | 1:ASP146:OD2 | 3:ZN1:ZN |
4 | metal coordination | sing | 1:ASP72:OD1 | 3:ZN1:ZN |
5 | metal coordination | sing | 1:ASP174:OD2 | 2:CA1:CA |
6 | metal coordination | sing | 1:ASP151:OD2 | 2:CA1:CA |
7 | metal coordination | sing | 1:GLY154:O | 2:CA1:CA |
8 | metal coordination | sing | 1:GLU177:OE1 | 2:CA1:CA |
9 | metal coordination | sing | 1:HIS159:NE2 | 3:ZN1:ZN |
10 | metal coordination | sing | 1:GLY152:O | 2:CA1:CA |
11 | metal coordination | sing | 1:HIS172:ND1 | 3:ZN1:ZN |
12 | metal coordination | sing | 1:THR156:O | 2:CA1:CA |
13 | metal coordination | sing | 1:GLY166:O | 2:CA1:CA |
14 | metal coordination | sing | 1:ASP170:OD2 | 2:CA1:CA |
15 | metal coordination | sing | 1:HIS199:NE2 | 3:ZN1:ZN |
16 | metal coordination | sing | 1:ASP134:O | 2:CA1:CA |
17 | metal coordination | sing | 1:ASP170:OD1 | 2:CA1:CA |
18 | metal coordination | sing | 1:HIS205:NE2 | 3:ZN1:ZN |
19 | metal coordination | sing | 1:GLY168:O | 2:CA1:CA |
20 | metal coordination | sing | 1:HIS195:NE2 | 3:ZN1:ZN |
21 | metal coordination | sing | 1:HIS144:NE2 | 3:ZN1:ZN |
22 | metal coordination | sing | 1:ASP151:OD1 | 2:CA1:CA |
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 51.0 % (1475 of 2890) | 68.7 % (1034 of 1505) | 18.9 % (213 of 1126) | 88.0 % (228 of 259) |
Backbone | 52.7 % (769 of 1460) | 83.2 % (422 of 507) | 18.2 % (131 of 719) | 92.3 % (216 of 234) |
Sidechain | 45.0 % (744 of 1653) | 61.0 % (609 of 998) | 19.5 % (123 of 630) | 48.0 % (12 of 25) |
Aromatic | 22.4 % (65 of 290) | 41.4 % (60 of 145) | 0.0 % (0 of 140) | 100.0 % (5 of 5) |
Methyl | 76.5 % (176 of 230) | 93.0 % (107 of 115) | 60.0 % (69 of 115) |
1. proMMP-7(E195A)
LPQEAGGMSE LQWEQAQDYL KRFYLYDSET KNANSLEAKL KEMQKFFGLP ITGMLNSRVI EIMQKPRCGV PDVAEYSLFP NSPKWTSKVV TYRIVSYTRD LPHITVDRLV SKALNMWGKE IPLHFRKVVW GTADIMIGFA RGAHGDSYPF DGPGNTLAHA FAPGTGLGGD AHFDEDERWT DGSSLGINFL YAATHALGHS LGMGHSSDPN AVMYPTYGNG DPQNFKLSQD DIKGIQKLYG KRSNSRKKSolvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity_1 | [U-100% 15N, U-100% 13CH3 (ILV)] | 0.4 mM | |
2 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | natural abundance | 50 mM | |
3 | 1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | natural abundance | 100 mM | |
4 | imidazole | natural abundance | 20 mM | |
5 | CaCl2 | natural abundance | 10 mM | |
6 | ZnCl2 | natural abundance | 20 uM | |
7 | beta-mercaptoethanol | natural abundance | 10 mM | |
8 | sodium azide | natural abundance | 0.02 % | |
9 | H2O | natural abundance | 90 % | |
10 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Temperature 310 K, pH 6.6
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | entity_1 | [U-100% 15N, U-100% 13CH3 (ILV)] | 0.4 mM | |
12 | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | natural abundance | 50 mM | |
13 | 1,2-DIHEXANEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | natural abundance | 100 mM | |
14 | imidazole | natural abundance | 20 mM | |
15 | CaCl2 | natural abundance | 10 mM | |
16 | ZnCl2 | natural abundance | 20 uM | |
17 | beta-mercaptoethanol | natural abundance | 10 mM | |
18 | sodium azide | natural abundance | 0.02 % | |
19 | 1-palmitoyl-2-stearoyl-(5-doxyl)-sn-glycero-3-phosphocholine | natural abundance | 1.5 mM | |
20 | 1-palmitoyl-2-stearoyl-(14-doxyl)-sn-glycero-3-phosphocholine | natural abundance | 1.5 mM | |
21 | H2O | natural abundance | 90 % | |
22 | D2O | natural abundance | 10 % |