A key amino acid in the control of different functional behavior within the triheme cytochrome family from Geobacter sulfurreducens
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | metal coordination | sing | 1:HIS17:NE2 | 2:HEM1:FE |
2 | metal coordination | sing | 1:HIS31:NE2 | 2:HEM1:FE |
3 | metal coordination | sing | 1:HIS20:NE2 | 2:HEM1:FE |
4 | metal coordination | sing | 1:HIS55:NE2 | 2:HEM1:FE |
5 | metal coordination | sing | 1:HIS47:NE2 | 2:HEM1:FE |
6 | metal coordination | sing | 1:HIS69:NE2 | 2:HEM1:FE |
7 | thioether | sing | 1:CYS27:SG | 2:HEM1:CAB |
8 | thioether | sing | 1:CYS30:SG | 2:HEM1:CAC |
9 | thioether | sing | 1:CYS51:SG | 2:HEM1:CAB |
10 | thioether | sing | 1:CYS54:SG | 2:HEM1:CAC |
11 | thioether | sing | 1:CYS65:SG | 2:HEM1:CAB |
12 | thioether | sing | 1:CYS68:SG | 2:HEM1:CAC |
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 89.3 % (457 of 512) | 87.8 % (389 of 443) | 98.6 % (68 of 69) |
Backbone | 98.1 % (211 of 215) | 98.0 % (145 of 148) | 98.5 % (66 of 67) |
Sidechain | 82.8 % (246 of 297) | 82.7 % (244 of 295) | 100.0 % (2 of 2) |
Aromatic | 85.2 % (23 of 27) | 85.2 % (23 of 27) | |
Methyl | 100.0 % (16 of 16) | 100.0 % (16 of 16) |
1. entity 1
ADDIVFKAKN GDVKFPHKAH 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 | L6F polypeptide | natural abundance | 1 mM | |
2 | PROTOPORPHYRIN IX CONTAINING FE | natural abundance | 3 mM | |
3 | sodium phosphate | natural abundance | 45 mM | |
4 | sodium azide | natural abundance | 0.04 % |
Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.1
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | L6F polypeptide | [U-100% 15N] | 0.4 mM | |
6 | PROTOPORPHYRIN IX CONTAINING FE | natural abundance | 3 mM | |
7 | sodium phosphate | natural abundance | 45 mM | |
8 | sodium azide | natural abundance | 0.04 % |