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BMRB: 16339

2KJL

NMR structures of a designed Cyanovirin-N homolog lectin; LKAMG

Authors

Koharudin, L.M.I., Gronenborn, A.M.

Assembly

LKAMG

Entity

1. LKAMG (polymer, Thiol state: all free), 107 monomers, 12089.06 Da Detail

MSYADSSRNA VLTNGGRTLR AECRNADGNW VTSELDLDTI IGNNDGHFQW GGQNFTETAE DIRFHPKEGA AEQPILRARL RDCNGEFHDR DVNLNRIQNV NGRLVFQ

Formula weight

12089.06 Da

Exptl. method

solution NMR

Refine. method

CNS simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.4 %, Completeness (bb): 84.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.4 % (970 of 1207)	87.3 % (549 of 629)	68.3 % (310 of 454)	89.5 % (111 of 124)
Backbone	84.2 % (537 of 638)	97.7 % (217 of 222)	69.1 % (215 of 311)	100.0 % (105 of 105)
Sidechain	79.4 % (529 of 666)	81.6 % (332 of 407)	79.6 % (191 of 240)	31.6 % (6 of 19)
Aromatic	31.9 % (30 of 94)	34.0 % (16 of 47)	26.7 % (12 of 45)	100.0 % (2 of 2)
Methyl	97.0 % (97 of 100)	100.0 % (50 of 50)	94.0 % (47 of 50)

1. LKAMG

MSYADSSRNA VLTNGGRTLR AECRNADGNW VTSELDLDTI IGNNDGHFQW GGQNFTETAE DIRFHPKEGA AEQPILRARL RDCNGEFHDR DVNLNRIQNV NGRLVFQ

Show sample condition

Sample #1

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details [U-100%]15N-labeled LKAMG

#	Name	Isotope labeling	Concentration
1	LKAMG	[U-100% 15N]	0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.02 %

Sample #2

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details [U-100%]15N/13C-labeled LKAMG

#	Name	Isotope labeling	Concentration
4	LKAMG	[U-100% 13C; U-100% 15N]	1.2 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.02 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.733 ppm	internal	indirect	0.2514495
¹H	water	protons	4.733 ppm	internal	direct	1.0
¹⁵N	water	protons	4.733 ppm	internal	indirect	0.101329

Referencing offset: 0.2 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.733 ppm	internal	indirect	0.2514495
¹H	water	protons	4.733 ppm	internal	direct	1.0
¹⁵N	water	protons	4.733 ppm	internal	indirect	0.101329

Referencing offset: 0.2 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.733 ppm	internal	indirect	0.2514495
¹H	water	protons	4.733 ppm	internal	direct	1.0
¹⁵N	water	protons	4.733 ppm	internal	indirect	0.101329

Referencing offset: -0.04 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2KJL, Strand ID: A Detail

Release date

2009-11-15

Citation

A designed chimeric cyanovirin-N homolog lectin: structure and molecular basis of sucrose binding
Koharudin, L.M.I., Furey, W., Gronenborn, A.M.
Proteins (2009), 77, 904-915, PubMed 19639634 , DOI 10.1002/prot.22514 , Abstract

Related entities 1. LKAMG, : 1 : 3 : 38 entities Detail

Experiments performed 8 experiments Detail

1 2D 15N-1H HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details [U-100%]15N-labeled LKAMG

#	Name	Isotope labeling	Concentration
1	LKAMG	[U-100% 15N]	0.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.02 %

2 3D CBCANH