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Solution structure of holo ArCP from yersiniabactin synthetase
Authors
Goodrich, A.C., Harden, B.J., Frueh, D.P.
Assembly
holo ArCP from yersiniabactin synthetase
Entity
1. holo ArCP from yersiniabactin synthetase (polymer, Thiol state: not present), 80 monomers, 9940.137 Da Detail

DNRHAADYQQ LRERLIQELN LTPQQLHEES NLIQAGLDXI RLMRWLHWFR KNGYRLTLRE LYAAPTLAAW NQLMLSRSPE


Formula weight
9940.137 Da
Source organism
Yersinia pestis
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.8 %, Completeness: 92.0 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All92.0 % (904 of 983)90.0 % (466 of 518)96.3 % (360 of 374)85.7 % (78 of 91)
Backbone97.4 % (456 of 468)96.8 % (152 of 157)97.4 % (229 of 235)98.7 % (75 of 76)
Sidechain88.5 % (524 of 592)87.0 % (314 of 361)95.8 % (207 of 216)20.0 % (3 of 15)
Aromatic90.2 % (74 of 82)90.2 % (37 of 41)89.5 % (34 of 38)100.0 % (3 of 3)
Methyl100.0 % (92 of 92)100.0 % (46 of 46)100.0 % (46 of 46)

1. entity

DNRHAADYQQ LRERLIQELN LTPQQLHEES NLIQAGLDXI RLMRWLHWFR KNGYRLTLRE LYAAPTLAAW NQLMLSRSPE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.80


#NameIsotope labelingTypeConcentration
1Holo-ArCP[U-99% 15N]0.3-0.5 mM
2ACESnatural abundance50 mM
3TCEPnatural abundance0.5 mM
4sodium chloridenatural abundance150 mM
5magnesium chloridenatural abundance1 mM
6DSSnatural abundance0.1 mM
7H2Onatural abundance90 %
8D2Onatural abundance10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.80


#NameIsotope labelingTypeConcentration
9Holo-ArCP[U-99% 13C; U-99% 15N]0.3-0.5 mM
10ACESnatural abundance50 mM
11TCEPnatural abundance0.5 mM
12sodium chloridenatural abundance150 mM
13magnesium chloridenatural abundance1 mM
14DSSnatural abundance0.1 mM
15D2Onatural abundance100 %

Protein Blocks Logo
Calculated from 20 models in PDB: 2N6Y, Strand ID: A Detail


Release date
2016-07-27
Citation
Solution Structure of a Nonribosomal Peptide Synthetase Carrier Protein Loaded with Its Substrate Reveals Transient, Well-Defined Contacts
Goodrich, A.C., Harden, B.J., Frueh, D.P.
J. Am. Chem. Soc. (2015), 137, 12100-12109, PubMed 26334259 , DOI 10.1021/jacs.5b07772 ,
Related entities 1. holo ArCP from yersiniabactin synthetase, : 1 : 1 : 1 : 29 entities Detail
Experiments performed 9 experiments Detail
NMR combined restraints 4 contents Detail
Keywords Carrier Protein, Holo, Nonribosomal Peptide Synthetase, Yersiniabactin