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BMRB: 16400

2KLW

SOLUTION STRUCTURE OF AN ABC COLLAGEN HETEROTRIMER REVEALS A SINGLE-REGISTER HELIX STABILIZED BY ELECTROSTATIC INTERACTIONS

Authors

Fallas, J.A., Gauba, V., Hartgerink, J.D.

Assembly

ABC collagen heterotrimer

Entity

1. collagen A (polymer, Thiol state: not present), 30 monomers, 2841.397 Da Detail

PKGPKGPKGP KGPKGPKGPK GPKGPKGPKG

2. collagen B (polymer, Thiol state: not present), 30 monomers, 2870.557 Da Detail

DXGDXGDXGD XGDXGDXGDX GDXGDXGDXG

3. collagen C (polymer, Thiol state: not present), 30 monomers, 2690.827 Da Detail

PXGPXGPXGP XGPXGPXGPX GPXGPXGPXG

Total weight

8402.781 Da

Max. entity weight

2870.557 Da

Exptl. method

solution NMR

Refine. method

simulated annealing, constraint minimization

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 7.8 %, Completeness: 9.0 %, Completeness (bb): 8.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	9.0 % (60 of 670)	10.0 % (37 of 370)	7.2 % (18 of 250)	10.0 % (5 of 50)
Backbone	8.2 % (31 of 380)	10.0 % (15 of 150)	6.1 % (11 of 180)	10.0 % (5 of 50)
Sidechain	10.0 % (33 of 330)	10.0 % (22 of 220)	10.0 % (11 of 110)

1. collagen A

PKGPKGPKGP KGPKGPKGPK GPKGPKGPKG

2. collagen B

DXGDXGDXGD XGDXGDXGDX GDXGDXGDXG

3. collagen C

PXGPXGPXGP XGPXGPXGPX GPXGPXGPXG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity_1	natural abundance	1.2 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
4	entity_2	natural abundance	1.2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
7	entity_3	natural abundance	1.2 mM
8	H2O	natural abundance	90 %
9	D2O	natural abundance	10 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
10	entity_1	natural abundance	1.2 mM
11	entity_2	natural abundance	1.2 mM
12	entity_3	natural abundance	1.2 mM
13	H2O	natural abundance	90 %
14	D2O	natural abundance	10 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 10 mM phosphate buffer Not all amino acids labeled, refer to publication for sequence

#	Name	Isotope labeling	Concentration
15	entity_1	[U-99% 13C; U-99% 15N]	1.2 mM
16	entity_2	[U-99% 13C; U-99% 15N]	1.2 mM
17	entity_3	[U-99% 13C; U-99% 15N]	1.2 mM
18	H2O	natural abundance	90 %
19	D2O	natural abundance	10 %
20	phosphate buffer	natural abundance	10 mM

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 10 mM phosphate buffer Not all amino acids labeled, refer to publication for sequence

#	Name	Isotope labeling	Concentration
21	entity_1	natural abundance	1.8 mM
22	entity_2	natural abundance	1.2 mM
23	entity_3	natural abundance	1.2 mM
24	H2O	natural abundance	90 %
25	D2O	natural abundance	10 %
26	phosphate buffer	natural abundance	10 mM

Protein Blocks Logo

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

Release date

2009-09-03

Citation

Solution structure of an ABC collagen heterotrimer reveals a single-register helix stabilized by electrostatic interactions
Fallas, J.A., Gauba, V., Hartgerink, J.D.
J. Biol. Chem. (2009), 284, 26851-26859, PubMed 19625247 , DOI 10.1074/jbc.M109.014753 , Abstract

Related entities 1. collagen A, : 2 : 1517 entities Detail

Related entities 2. collagen B, : 92 entities Detail