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apo structure of the Peptidyl Carrier Protein Domain 7 of the teicoplanin producing Non-ribosomal peptide synthetase
Authors
Haslinger, K., Maximowitsch, E., Redfield, C., Cryle, M.J.
Assembly
PCP7T
Entity
1. PCP7T (polymer, Thiol state: all free), 91 monomers, 9618.939 Da Detail

GAMAKAPESA TEKVLCALYA EILGVERVGV DDAFHDLGGS SALAMRLIAR IREELGVDLP IRQLFSSPTP AGVARALAAK SASWSHPQFE K


Formula weight
9618.939 Da
Source organism
Actinoplanes teichomyceticus
Exptl. method
solution NMR
Refine. method
molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 82.4 %, Completeness: 44.3 %, Completeness (bb): 33.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All44.3 % (443 of 1001)64.9 % (334 of 515)21.9 % (87 of 397)24.7 % (22 of 89)
Backbone33.4 % (179 of 536)51.6 % (95 of 184)23.3 % (62 of 266)25.6 % (22 of 86)
Sidechain51.9 % (285 of 549)72.2 % (239 of 331)21.4 % (46 of 215) 0.0 % (0 of 3)
Aromatic53.4 % (31 of 58)89.7 % (26 of 29)17.9 % (5 of 28) 0.0 % (0 of 1)
Methyl54.3 % (63 of 116)89.7 % (52 of 58)19.0 % (11 of 58)

1. PCP7T

GAMAKAPESA TEKVLCALYA EILGVERVGV DDAFHDLGGS SALAMRLIAR IREELGVDLP IRQLFSSPTP AGVARALAAK SASWSHPQFE K

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
1PCP7T[U-100% 13C; U-100% 15N]350.0 ~ 500.0 uM
2TRISnatural abundance50 mM
3H2Onatural abundance95 %
4D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
5PCP7Tnatural abundance500 uM
6TRISnatural abundance50 mM
7H2Onatural abundance95 %
8D2Onatural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
9PCP7Tnatural abundance500 uM
10TRISnatural abundance50 mM
11D2Onatural abundance100 %

Chem. Shift Complete2
Sequence coverage: 91.2 %, Completeness: 54.5 %, Completeness (bb): 47.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All54.5 % (1092 of 2002)69.9 % (720 of 1030)40.1 % (318 of 794)30.3 % (54 of 178)
Backbone47.0 % (504 of 1072)63.6 % (234 of 368)40.6 % (216 of 532)31.4 % (54 of 172)
Sidechain61.6 % (676 of 1098)73.4 % (486 of 662)44.2 % (190 of 430) 0.0 % (0 of 6)
Aromatic44.0 % (51 of 116)70.7 % (41 of 58)17.9 % (10 of 56) 0.0 % (0 of 2)
Methyl66.4 % (154 of 232)90.5 % (105 of 116)42.2 % (49 of 116)

1. PCP7T

GAMAKAPESA TEKVLCALYA EILGVERVGV DDAFHDLGGS SALAMRLIAR IREELGVDLP IRQLFSSPTP AGVARALAAK SASWSHPQFE K

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
1PCP7T[U-100% 13C; U-100% 15N]350.0 ~ 500.0 uM
2TRISnatural abundance50 mM
3H2Onatural abundance95 %
4D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
5PCP7Tnatural abundance500 uM
6TRISnatural abundance50 mM
7H2Onatural abundance95 %
8D2Onatural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
9PCP7Tnatural abundance500 uM
10TRISnatural abundance50 mM
11D2Onatural abundance100 %

Chem. Shift Complete3
Sequence coverage: 85.7 %, Completeness: 53.8 %, Completeness (bb): 47.6 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All53.8 % (1615 of 3003)70.1 % (1083 of 1545)37.4 % (445 of 1191)32.6 % (87 of 267)
Backbone47.6 % (765 of 1608)67.8 % (374 of 552)38.1 % (304 of 798)33.7 % (87 of 258)
Sidechain58.8 % (968 of 1647)71.4 % (709 of 993)40.2 % (259 of 645) 0.0 % (0 of 9)
Aromatic42.0 % (73 of 174)72.4 % (63 of 87)11.9 % (10 of 84) 0.0 % (0 of 3)
Methyl65.8 % (229 of 348)90.8 % (158 of 174)40.8 % (71 of 174)

1. PCP7T

GAMAKAPESA TEKVLCALYA EILGVERVGV DDAFHDLGGS SALAMRLIAR IREELGVDLP IRQLFSSPTP AGVARALAAK SASWSHPQFE K

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
1PCP7T[U-100% 13C; U-100% 15N]350.0 ~ 500.0 uM
2TRISnatural abundance50 mM
3H2Onatural abundance95 %
4D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
5PCP7Tnatural abundance500 uM
6TRISnatural abundance50 mM
7H2Onatural abundance95 %
8D2Onatural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
9PCP7Tnatural abundance500 uM
10TRISnatural abundance50 mM
11D2Onatural abundance100 %

Chem. Shift Complete4
Sequence coverage: 95.6 %, Completeness: 54.1 %, Completeness (bb): 50.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All54.1 % (2168 of 4004)71.7 % (1478 of 2060)33.0 % (524 of 1588)46.6 % (166 of 356)
Backbone50.0 % (1072 of 2144)73.0 % (537 of 736)34.8 % (370 of 1064)48.0 % (165 of 344)
Sidechain56.2 % (1234 of 2196)71.1 % (941 of 1324)34.0 % (292 of 860) 8.3 % (1 of 12)
Aromatic35.8 % (83 of 232)62.9 % (73 of 116) 8.9 % (10 of 112) 0.0 % (0 of 4)
Methyl62.7 % (291 of 464)90.5 % (210 of 232)34.9 % (81 of 232)

1. PCP7T

GAMAKAPESA TEKVLCALYA EILGVERVGV DDAFHDLGGS SALAMRLIAR IREELGVDLP IRQLFSSPTP AGVARALAAK SASWSHPQFE K

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
1PCP7T[U-100% 13C; U-100% 15N]350.0 ~ 500.0 uM
2TRISnatural abundance50 mM
3H2Onatural abundance95 %
4D2Onatural abundance5 %
Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
5PCP7Tnatural abundance500 uM
6TRISnatural abundance50 mM
7H2Onatural abundance95 %
8D2Onatural abundance5 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4


#NameIsotope labelingTypeConcentration
9PCP7Tnatural abundance500 uM
10TRISnatural abundance50 mM
11D2Onatural abundance100 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2MR7, Strand ID: A Detail


Release date
2015-01-25
Citation
Structure of the terminal PCP domain of the non-ribosomal peptide synthetase in teicoplanin biosynthesis
Haslinger, K., Maximowitsch, E., Brieke, C., Koch, A., Redfield, C., Cryle, M.J.
Proteins (2015), 83, 711-721, PubMed 25586301 , DOI 10.1002/prot.24758 ,
Related entities 1. PCP7T, : 1 : 1 : 123 entities Detail
Experiments performed 17 experiments Detail
NMR combined restraints 7 contents Detail
Keywords Non-ribosomal peptide synthetase, peptidyl carrier protein