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BMRB: 16258

2KHZ

Solution Structure of RCL

Authors

Doddapaneni, K., Mahler, B., Yuan, C., Wu, Z.

Assembly

RCL

Entity

1. RCL (polymer, Thiol state: all free), 165 monomers, 17974.96 × 2 Da Detail

GHMAASGEQA PCSVYFCGSI RGGREDQALY ARIVSRLRRY GKVLTEHVAD AELEPLGEEA AGGDQFIHEQ DLNWLQQADV VVAEVTQPSL GVGYELGRAV ALGKPILCLF RPQSGRVLSA MIRGAADGSR FQVWDYAEGE VETMLDRYFE AYLPQKTASS SHPSA

Total weight

35949.92 Da

Max. entity weight

17974.96 Da

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Refine. method

simulated annealing, distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.6 %, Completeness: 81.9 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.9 % (1502 of 1834)	76.1 % (721 of 947)	88.4 % (633 of 716)	86.5 % (148 of 171)
Backbone	91.6 % (894 of 976)	90.6 % (308 of 340)	92.3 % (441 of 478)	91.8 % (145 of 158)
Sidechain	74.6 % (750 of 1006)	68.0 % (413 of 607)	86.5 % (334 of 386)	23.1 % (3 of 13)
Aromatic	58.9 % (86 of 146)	58.9 % (43 of 73)	57.7 % (41 of 71)	100.0 % (2 of 2)
Methyl	98.3 % (177 of 180)	97.8 % (88 of 90)	98.9 % (89 of 90)

1. RCL

GHMAASGEQA PCSVYFCGSI RGGREDQALY ARIVSRLRRY GKVLTEHVAD AELEPLGEEA AGGDQFIHEQ DLNWLQQADV VVAEVTQPSL GVGYELGRAV ALGKPILCLF RPQSGRVLSA MIRGAADGSR FQVWDYAEGE VETMLDRYFE AYLPQKTASS SHPSA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	sodium phosphate	natural abundance	25 mM
2	sodium chloride	natural abundance	25 mM
3	DTT	natural abundance	2 mM
4	sodium azide	natural abundance	0.02 %
5	Pf1 phage	natural abundance	12 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
6	sodium phosphate	natural abundance	25 mM
7	sodium chloride	natural abundance	25 mM
8	DTT	natural abundance	2 mM
9	sodium azide	natural abundance	0.02 %

Sample #3

Solvent system 100% D2O, Pressure 1.0 atm, Temperature 303 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	sodium phosphate	natural abundance	25 mM
11	sodium chloride	natural abundance	25 mM
12	DTT	natural abundance	2 mM
13	sodium azide	natural abundance	0.02 %

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

Referencing offset: 0.14 ppm, Outliers: 3 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

Referencing offset: 0.14 ppm, Outliers: 3 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

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.15 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2KHZ, Strand ID: A, B Detail

Release date

2009-09-03

Citation

Solution structure of RCL, a novel 2'-deoxyribonucleoside 5'-monophosphate N-glycosidase
Doddapaneni, K., Mahler, B., Pavlovicz, R., Haushalter, A., Yuan, C., Wu, Z.
J. Mol. Biol. (2009), 394, 423-434, PubMed 19720067 , DOI 10.1016/j.jmb.2009.08.054 , Abstract