BMRB: 19145

A STRUCTURAL MODEL OF CAP MUTANT (T127L AND S128I) IN CGMP- BOUND STATE

Authors

Tzeng, S., Kalodimos, C.G.

Assembly

A structural model of CAP mutant (T127L and S128I) in cGMP-bound state

Entity

1. CAMP RECEPTOR PROTEIN (polymer, Thiol state: all free), 209 monomers, 23547.08 Da Detail

VLGKPQTDPT LEWFLSHCHI HKYPSKSTLI HQGEKAETLY YIVKGSVAVL IKDEEGKEMI LSYLNQGDFI GELGLFEEGQ ERSAWVRAKT ACEVAEISYK KFRQLIQVNP DILMRLSAQM ARRLQVLIEK VGNLAFLDVT GRIAQTLLNL AKQPDAMTHP DGMQIKITRQ EIGQIVGCSR ETVGRILKML EDQNLISAHG KTIVVYGTR

2. A structural model of CAP mutant (T127L and S128I) in cGMP-bound state, entity PCG (non-polymer), 345.205 Da

Total weight

23892.285 Da

Max. entity weight

23547.08 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

NTORSION ANGLE DYNAMICS, SIMULATED SIMULATED

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 64.6 %, Completeness: 34.3 %, Completeness (bb): 49.5 % Detail

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Polymer type: polypeptide(L)

	Total	13C	15N
All	34.3 % (408 of 1190)	28.5 % (275 of 966)	59.4 % (133 of 224)
Backbone	49.5 % (403 of 814)	44.2 % (270 of 611)	65.5 % (133 of 203)
Sidechain	16.0 % (91 of 569)	16.6 % (91 of 548)	0.0 % (0 of 21)
Aromatic	0.0 % (0 of 73)	0.0 % (0 of 71)	0.0 % (0 of 2)
Methyl	6.7 % (9 of 135)	6.7 % (9 of 135)

1. CAMP RECEPTOR PROTEIN

VLGKPQTDPT LEWFLSHCHI HKYPSKSTLI HQGEKAETLY YIVKGSVAVL IKDEEGKEMI LSYLNQGDFI GELGLFEEGQ ERSAWVRAKT ACEVAEISYK KFRQLIQVNP DILMRLSAQM ARRLQVLIEK VGNLAFLDVT GRIAQTLLNL AKQPDAMTHP DGMQIKITRQ EIGQIVGCSR ETVGRILKML EDQNLISAHG KTIVVYGTR

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Sample

Solvent system 10% water/90% D2O, Pressure 1 atm, Temperature 305.000 K, pH 6.000, Details 0.2mM

#	Name	Isotope labeling	Type	Concentration
1	CAMP RECEPTOR PROTEIN	[U-13C; U-15N]		0.2 mM

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Calculated from 20 models in PDB: 4BHP, Strand ID: A Detail

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Release date

2013-05-29

Citation

Allosteric inhibition through suppression of transient conformational states
Tzeng, S., Kalodimos, C.G.
Nat. Chem. Biol. (2013), 9, 462-465, PubMed 23644478 , DOI 10.1038/nchembio.1250 , Abstract

Related entities 1. CAMP RECEPTOR PROTEIN, : 1 : 1 : 47 : 87 entities Detail

Experiments performed 3 experiments Detail