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BMRB: 19739

2MJW

Structural Insights into Calcium Bound S100P - V Domain of the receptor for advanced glycation end products (RAGE) Complex

Authors

Penumutchu, S.RAO.

Assembly

Calcium Bound S100P - V Domain of RAGE complex

Entity

1. Calcium Bound S100P - V Domain of RAGE complex, entity 1 (polymer), 101 monomers, 11200.87 × 2 Da Detail

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

2. Calcium Bound S100P - V Domain of RAGE complex, entity 2 (polymer), 188 monomers, 20525.21 Da Detail

MTELETAMGM IIDVFSRYSG SEGSTQTLTK GELKVLMEKE LPGFLQSGKD KDAVDKLLKD LDANGDAQVD FSEFIVFVAA ITSACHKYFE KAGLMTELET AMGMIIDVFS RYSGSEGSTQ TLTKGELKVL MEKELPGFLQ SGKDKDAVDK LLKDLDANGD AQVDFSEFIV FVAAITSACH KYFEKAGL

Total weight

42926.953 Da

Max. entity weight

20525.21 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 34.9 %, Completeness: 21.6 %, Completeness (bb): 25.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	21.6 % (723 of 3344)	23.1 % (402 of 1739)	18.0 % (235 of 1304)	28.6 % (86 of 301)
Backbone	25.2 % (432 of 1712)	30.2 % (179 of 593)	20.1 % (169 of 841)	30.2 % (84 of 278)
Sidechain	18.9 % (358 of 1895)	19.5 % (224 of 1146)	18.2 % (132 of 726)	8.7 % (2 of 23)
Aromatic	3.4 % (8 of 232)	6.9 % (8 of 116)	0.0 % (0 of 113)	0.0 % (0 of 3)
Methyl	21.3 % (68 of 320)	23.7 % (38 of 160)	18.8 % (30 of 160)

1. entity 1

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

2. entity 2

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.8, Details 20 mM Tris-HC1, 100 mM KCl, 4 mM CaCl2, and pH 7.0

#	Name	Isotope labeling	Concentration
1	entity_1	[U-100% 13C; U-100% 15N]	0.6 mM
2	entity_2	[U-100% 13C; U-100% 15N]	0.6 mM
3	Tris-HCl	natural abundance	20 mM
4	KCl	natural abundance	100 mM
5	CaCl2	natural abundance	4 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MJW, Strand ID: A, B, C, D Detail

Release date

2014-11-02

Citation

Structural insights into calcium-bound S100P and the V domain of the RAGE complex
Penumutchu, S.RAO., Chou, R., Yu, C.
PLoS One (2014), 9, e103947-e103947, PubMed 25084534 , DOI 10.1371/journal.pone.0103947 , Abstract

Related entities 1. Calcium Bound S100P - V Domain of RAGE complex, entity 1, : 1 : 86 entities Detail

Related entities 2. Calcium Bound S100P - V Domain of RAGE complex, entity 2, : 2 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC