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BMRB: 17628

2LCR

NMR Structure of Alk1 extracellular domain

Authors

Ilangovan, U.

Assembly

Alk1

Entity

1. Alk1 (polymer, Thiol state: all disulfide bound), 97 monomers, 10713.93 Da Detail

DPVKPSRGPL VTCTCESPHC KGPTCRGAWC TVVLVREEGR HPQEHRGCGN LHRELCRGRP TEFVNHYCCD SHLCNHNVSL VLEATQPPSE QPGTDGQ

Formula weight

10713.93 Da

Entity Connection

disulfide 5 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS13:SG	1:CYS30:SG
2	disulfide	sing	1:CYS15:SG	1:CYS20:SG
3	disulfide	sing	1:CYS25:SG	1:CYS48:SG
4	disulfide	sing	1:CYS56:SG	1:CYS68:SG
5	disulfide	sing	1:CYS69:SG	1:CYS74:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 82.0 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.0 % (870 of 1061)	75.4 % (420 of 557)	89.7 % (366 of 408)	87.5 % (84 of 96)
Backbone	98.2 % (552 of 562)	97.9 % (189 of 193)	98.9 % (279 of 282)	96.6 % (84 of 87)
Sidechain	69.0 % (405 of 587)	63.5 % (231 of 364)	81.3 % (174 of 214)	0.0 % (0 of 9)
Aromatic	6.9 % (4 of 58)	6.9 % (2 of 29)	7.1 % (2 of 28)	0.0 % (0 of 1)
Methyl	100.0 % (78 of 78)	100.0 % (39 of 39)	100.0 % (39 of 39)

1. Alk1

DPVKPSRGPL VTCTCESPHC KGPTCRGAWC TVVLVREEGR HPQEHRGCGN LHRELCRGRP TEFVNHYCCD SHLCNHNVSL VLEATQPPSE QPGTDGQ

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 305 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Alk1	[U-100% 15N]	0.5 mM
2	sodium phosphate	natural abundance	25 mM
3	sodium azide	natural abundance	0.02 %
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 305 K, pH 5.5

#	Name	Isotope labeling	Concentration
6	Alk1	[U-100% 13C; U-100% 15N]	0.5 mM
7	sodium phosphate	natural abundance	25 mM
8	sodium azide	natural abundance	0.02 %
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 305 K, pH 5.5

#	Name	Isotope labeling	Concentration
11	Alk1	[U-100% 13C; U-100% 15N]	0.5 mM
12	sodium phosphate	natural abundance	25 mM
13	sodium azide	natural abundance	0.02 %
14	Pf1 phage	natural abundance	5mg/mL mg
15	H2O	natural abundance	95 %
16	D2O	natural abundance	5 %

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: -0.13 ppm, Outliers: 2 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: -0.13 ppm, Outliers: 2 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: 0.4 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2012-08-29

Citation

Structure of the Alk1 extracellular domain and characterization of its bone morphogenetic protein (BMP) binding properties
Mahlawat, P., Ilangovan, U., Biswas, T., Sun, L., Hinck, A.P.
Biochemistry (2012), 51, 6328-6341, PubMed 22799562 , DOI 10.1021/bi300942x , Abstract

Related entities 1. Alk1, : 1 : 7 : 6 entities Detail

Interaction partners 1. Alk1, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC