Solution NMR structure of a putative thioredoxin (trxA) in the reduced state from Rickettsia prowazekii, the etiological agent responsible for typhus. Seattle Structural Genomics Center for Infectious Disease target RiprA.00029.a
GPGSMSCYNE ITTLLEFDSN DINTTQRINM VNNVTDSSFK NEVLESDLPV MVDFWAEWCG PCKMLIPIID EISKELQDKV KVLKMNIDEN PKTPSEYGIR SIPTIMLFKN GEQKDTKIGL QQKNSLLDWI NKSI
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 79.7 % (1280 of 1606) | 75.2 % (633 of 842) | 83.8 % (517 of 617) | 88.4 % (130 of 147) |
Backbone | 89.2 % (705 of 790) | 85.0 % (227 of 267) | 92.2 % (365 of 396) | 89.0 % (113 of 127) |
Sidechain | 73.5 % (694 of 944) | 70.6 % (406 of 575) | 77.7 % (271 of 349) | 85.0 % (17 of 20) |
Aromatic | 44.6 % (41 of 92) | 47.8 % (22 of 46) | 37.2 % (16 of 43) | 100.0 % (3 of 3) |
Methyl | 83.6 % (122 of 146) | 80.8 % (59 of 73) | 86.3 % (63 of 73) |
1. entity 1
GPGSMSCYNE ITTLLEFDSN DINTTQRINM VNNVTDSSFK NEVLESDLPV MVDFWAEWCG PCKMLIPIID EISKELQDKV KVLKMNIDEN PKTPSEYGIR SIPTIMLFKN GEQKDTKIGL QQKNSLLDWI NKSISolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.8 mM [U-99% 13C; U-99% 15N] R29, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | sodium chloride | natural abundance | 100 (±3.0) mM | |
2 | TRIS | natural abundance | 20 (±1.0) mM | |
3 | DTT | natural abundance | 1 (±0.2) mM | |
4 | R29 | [U-99% 13C; U-99% 15N] | 0.8 (±0.2) mM |
Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-10% 13C; U-100% 15N] R29, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | sodium chloride | natural abundance | 100 (±3.0) mM | |
6 | TRIS | natural abundance | 20 (±1.0) mM | |
7 | DTT | natural abundance | 1 (±0.2) mM | |
8 | R29 | [U-10% 13C; U-100% 15N] | 0.5 (±0.1) mM |
Solvent system 100% D2O, Pressure 1 atm, Temperature 293 (±0.5) K, pH 7 (±0.2), Details 100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 0.5 mM [U-99% 15N] R29, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | sodium chloride | natural abundance | 100 (±3.0) mM | |
10 | TRIS | natural abundance | 20 (±1.0) mM | |
11 | DTT | natural abundance | 1 (±0.2) mM | |
12 | R29 | [U-99% 15N] | 0.5 (±0.1) mM |