BMRB: 17232

Solution structure of the PlyG catalytic domain

Authors

Volkman, B.F., Dias, J.S., Peterson, F.C.

Assembly

PlyG (E.C.3.5.1.28)

Entity

1. PlyG (polymer, Thiol state: all free), 165 monomers, 18530.67 Da Detail

MEIQKKLVDP SKYGTKCPYT MKPKYITVHN TYNDAPAENE VSYMISNNNE VSFHIAVDDK KAIQGIPLER NAWACGDGNG SGNRQSISVE ICYSKSGGDR YYKAEDNAVD VVRQLMSMYN IPIENVRTHQ SWSGKYCPHR MLAEGRWGAF IQKVKNGNVA TTSPT

2. ZN (non-polymer, Thiol state: not present), 65.409 Da

Total weight

18596.078 Da

Max. entity weight

18530.67 Da

Source organism

Bacillus phage Gamma

Exptl. method

solution NMR

Refine. method

AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT AND ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.5 %, Completeness (bb): 84.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.5 % (1705 of 1904)	97.8 % (973 of 995)	76.5 % (558 of 729)	96.7 % (174 of 180)
Backbone	84.9 % (827 of 974)	99.4 % (332 of 334)	70.2 % (339 of 483)	99.4 % (156 of 157)
Sidechain	95.0 % (1029 of 1083)	97.0 % (641 of 661)	92.7 % (370 of 399)	78.3 % (18 of 23)
Aromatic	82.9 % (126 of 152)	98.7 % (75 of 76)	65.8 % (48 of 73)	100.0 % (3 of 3)
Methyl	100.0 % (146 of 146)	100.0 % (73 of 73)	100.0 % (73 of 73)

1. PlyG

MEIQKKLVDP SKYGTKCPYT MKPKYITVHN TYNDAPAENE VSYMISNNNE VSFHIAVDDK KAIQGIPLER NAWACGDGNG SGNRQSISVE ICYSKSGGDR YYKAEDNAVD VVRQLMSMYN IPIENVRTHQ SWSGKYCPHR MLAEGRWGAF IQKVKNGNVA TTSPT

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.0, Details 1.0 mM PlyG(1-165) U-15N/13C, 20 mM BisTris

#	Name	Isotope labeling	Type	Concentration
1	PlyG	[U-100% 13C; U-100% 15N]		1 mM
2	Bis-Tris	[U-99% 2H]		10 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

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LACS Plot; CA

Referencing offset: -0.3 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.3 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.08 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2L47, Strand ID: A Detail

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Release date

2012-07-24

Related entities 1. PlyG, : 1 : 9 entities Detail

Experiments performed 3 experiments Detail