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BMRB: 16173

2KFB

The structure of the cataract causing P23T mutant of human gamma-D crystallin

Authors

Jung, J., Byeon, I.L., Wang, Y., King, J., Gronenborn, A.M.

Assembly

p23t

Entity

1. p23t (polymer, Thiol state: all free), 182 monomers, 21821.04 Da Detail

MKHHHHHHQG KITLYEDRGF QGRHYECSSD HTNLQPYLSR CNSARVDSGC WMLYEQPNYS GLQYFLRRGD YADHQQWMGL SDSVRSCRLI PHSGSHRIRL YEREDYRGQM IEFTEDCSCL QDRFRFNEIH SLNVLEGSWV LYELSNYRGR QYLLMPGDYR RYQDWGATNA RVGSLRRVID FS

Formula weight

21821.04 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 87.2 %, Completeness (bb): 94.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (1896 of 2175)	89.1 % (1017 of 1141)	82.7 % (690 of 834)	94.5 % (189 of 200)
Backbone	94.8 % (1028 of 1084)	95.2 % (356 of 374)	94.0 % (500 of 532)	96.6 % (172 of 178)
Sidechain	81.6 % (1027 of 1259)	86.2 % (661 of 767)	74.3 % (349 of 470)	77.3 % (17 of 22)
Aromatic	59.7 % (160 of 268)	83.6 % (112 of 134)	33.8 % (44 of 130)	100.0 % (4 of 4)
Methyl	99.2 % (131 of 132)	100.0 % (66 of 66)	98.5 % (65 of 66)

1. p23t

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2

#	Name	Isotope labeling	Concentration
1	p23t	[U-99% 13C; U-99% 15N]	0.2-0.8 mM
2	sodium phosphate	natural abundance	20 mM
3	DTT	natural abundance	5 mM
4	D2O	natural abundance	5 %
5	H2O	natural abundance	95 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2

#	Name	Isotope labeling	Concentration
6	p23t	[U-99% 13C; U-99% 15N]	0.2-0.8 mM
7	sodium phosphate	natural abundance	20 mM
8	DTT	natural abundance	5 mM
9	D2O	[U-2H]	5 %
10	H2O	[U-2H]	5 %
11	Pentaethylene glycol monododecyl ether	natural abundance	5 %
12	hexanol	natural abundance	5.2 %

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: -0.28 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

Referencing offset: -0.28 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

Referencing offset: 0.03 ppm, Outliers: 2 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: 1.06 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2009-03-04

Citation

The structure of the cataract-causing P23T mutant of human gammaD-crystallin exhibits distinctive local conformational and dynamic changes
Jung, J., Byeon, I.L., Wang, Y., King, J., Gronenborn, A.M.
Biochemistry (2009), 48, 2597-2609, PubMed 19216553 , DOI 10.1021/bi802292q , Abstract

Related entities 1. p23t, : 1 : 15 : 260 entities Detail

Interaction partners 1. p23t, : 2 interactors Detail

More details for 2 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 3D HNCACB