Solution structure of a mutant of the triheme cytochrome PpcA from Geobacter sulfurreducens sheds light on the role of the conserved aromatic residue F15
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | thioether | sing | 1:CYS27:SG | 2:HEM1:CAB |
2 | thioether | sing | 1:CYS30:SG | 2:HEM1:CAC |
3 | thioether | sing | 1:CYS51:SG | 2:HEM1:CAB |
4 | thioether | sing | 1:CYS54:SG | 2:HEM1:CAC |
5 | thioether | sing | 1:CYS65:SG | 2:HEM1:CAB |
6 | thioether | sing | 1:CYS68:SG | 2:HEM1:CAC |
7 | na | sing | 1:HIS17:NE2 | 2:HEM1:FE |
8 | na | sing | 1:HIS31:NE2 | 2:HEM1:FE |
9 | na | sing | 1:HIS20:NE2 | 2:HEM1:FE |
10 | na | sing | 1:HIS55:NE2 | 2:HEM1:FE |
11 | na | sing | 1:HIS47:NE2 | 2:HEM1:FE |
12 | na | sing | 1:HIS69:NE2 | 2:HEM1:FE |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 86.8 % (441 of 508) | 85.0 % (373 of 439) | 98.6 % (68 of 69) |
Backbone | 99.1 % (213 of 215) | 99.3 % (147 of 148) | 98.5 % (66 of 67) |
Sidechain | 77.8 % (228 of 293) | 77.7 % (226 of 291) | 100.0 % (2 of 2) |
Aromatic | 82.4 % (14 of 17) | 82.4 % (14 of 17) | |
Methyl | 100.0 % (20 of 20) | 100.0 % (20 of 20) |
1. F15L polypeptide
ADDIVLKAKN GDVKLPHKAH QKAVPDCKKC HEKGPGKIEG FGKEMAHGKG CKGCHEEMKK GPTKCGECHK KSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | F15L | natural abundance | 0.4 mM | |
2 | PROTOPORPHYRIN IX CONTAINING FE | natural abundance | 3 mM | |
3 | sodium phosphate | natural abundance | 45 mM | |
4 | sodium azide | natural abundance | 0.04 % | |
5 | H2O | natural abundance | 93 % | |
6 | D2O | natural abundance | 7 % |
Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | F15L polypeptide | [U-100% 15N] | 0.4 mM | |
8 | PROTOPORPHYRIN IX CONTAINING FE | natural abundance | 3 mM | |
9 | sodium phosphate | natural abundance | 45 mM | |
10 | sodium azide | natural abundance | 0.04 % | |
11 | H2O | natural abundance | 93 % | |
12 | D2O | natural abundance | 7 % |