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BMRB: 17418

2LCJ

Backbone and sidechain assignments of intein from DNA polymerase II of Pyrococcus abyssi

Authors

Liu, J., Du, Z., Albracht, C., Mills, K., Wang, C.

Assembly

Pab PolII intein

Entity

1. Pab PolII intein (polymer, Thiol state: not available), 185 monomers, 21523.02 Da Detail

CFPGDTRILV QIDGVPQKIT LRELYELFED ERYENMVYVR KKPKREIKVY SIDLETGKVV LTDIEDVIKA PATDHLIRFE LEDGRSFETT VDHPVLVYEN GRFIEKRAFE VKEGDKVLVS ELELVEQSSS SQDNPKNENL GSPEHDQLLE IKNIKYVRAN DDFVFSLNAK KYHNVIINEN IVTHQ

Formula weight

21523.02 Da

Source organism

Pyrococcus abyssi

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 84.5 %, Completeness (bb): 85.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.5 % (1889 of 2235)	92.0 % (1075 of 1169)	72.3 % (630 of 871)	94.4 % (184 of 195)
Backbone	85.5 % (937 of 1096)	97.8 % (362 of 370)	72.8 % (399 of 548)	98.9 % (176 of 178)
Sidechain	85.6 % (1127 of 1317)	89.2 % (713 of 799)	81.0 % (406 of 501)	47.1 % (8 of 17)
Aromatic	28.2 % (44 of 156)	56.4 % (44 of 78)	0.0 % (0 of 78)
Methyl	96.8 % (215 of 222)	100.0 % (111 of 111)	93.7 % (104 of 111)

1. Pab PolII

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 320 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	20 mM
2	EDTA	natural abundance	0.5 mM
3	sodium azide	natural abundance	0.05 mM
4	Pab PolII	[U-98% 13C; U-98% 15N]	2 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 320 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.05 mM
7	EDTA	natural abundance	0.5 mM
8	Pab PolII	[U-13C; U-15N; U-2H]	1.2 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 320 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	sodium phosphate	natural abundance	20 mM
10	EDTA	natural abundance	0.5 mM
11	sodium azide	natural abundance	0.05 mM
12	Pab PolII	[U-98% 15N]	2 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 320 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	sodium phosphate	natural abundance	20 mM
14	EDTA	natural abundance	0.5 mM
15	sodium azide	natural abundance	0.05 mM
16	Pab PolII	[U-98% 13C; U-98% 15N]	2 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: 0.27 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: 0.27 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
³¹P	DSS	methyl protons	null	indirect	0.4048086

Referencing offset: -0.02 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2011-05-02

Citation

1H, 13C, and 15N NMR assignments of the Pyrococcus abyssi DNA polymerase II intein
Liu, J., Du, Z., Albracht, C.D., Naidu, R.O., Mills, K.V., Wang, C.
Biomol. NMR Assign. (2011), 5, 233-235, PubMed 21519863 , DOI 10.1007/s12104-011-9307-4 , Abstract

Related entities 1. Pab PolII intein, : 1 : 1 : 9 entities Detail

Experiments performed 12 experiments Detail

1 3D HNCACB