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Found 1 Document (1.883 seconds)

BMRB: 18868

2M1K

Interaction of Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE)

Authors

Gupta, A.A., Yu, C.

Assembly

Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE)

Entity

1. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 1 (polymer, Thiol state: not present), 90 monomers, 10163.55 × 2 Da Detail

MASPLDQAIG LLVAIFHKYS GREGDKHTLS KKELKELIQK ELTIGSKLQD AEIARLMEDL DRNKDQEVNF QEYVTFLGAL ALIYNEALKG

2. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 2 (polymer), 101 monomers, 11200.87 × 2 Da Detail

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

Total weight

42728.84 Da

Max. entity weight

11200.87 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	2:CYS18:SG	2:CYS79:SG
2	disulfide	sing	2:CYS18:SG	2:CYS79:SG

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 48.2 %, Completeness: 19.3 %, Completeness (bb): 33.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	19.3 % (438 of 2274)	11.4 % (136 of 1197)	24.5 % (214 of 873)	43.1 % (88 of 204)
Backbone	33.7 % (379 of 1126)	25.3 % (98 of 388)	34.8 % (194 of 557)	48.1 % (87 of 181)
Sidechain	6.9 % (91 of 1323)	4.8 % (39 of 809)	10.4 % (51 of 491)	4.3 % (1 of 23)
Aromatic	1.5 % (2 of 134)	3.0 % (2 of 67)	0.0 % (0 of 64)	0.0 % (0 of 3)
Methyl	5.0 % (11 of 218)	5.5 % (6 of 109)	4.6 % (5 of 109)

1. entity 1

MASPLDQAIG LLVAIFHKYS GREGDKHTLS KKELKELIQK ELTIGSKLQD AEIARLMEDL DRNKDQEVNF QEYVTFLGAL ALIYNEALKG

2. entity 2

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	S100A6 C3S	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	20 mM
3	Calcium chloride	natural abundance	10 mM
4	sodium azide	natural abundance	0.01 %

Chem. Shift Complete2

Sequence coverage: 16.2 %, Completeness: 11.9 %, Completeness (bb): 20.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	11.9 % (540 of 4548)	7.1 % (169 of 2394)	15.2 % (266 of 1746)	25.7 % (105 of 408)
Backbone	20.0 % (450 of 2252)	15.1 % (117 of 776)	20.6 % (229 of 1114)	28.7 % (104 of 362)
Sidechain	5.0 % (132 of 2646)	3.3 % (53 of 1618)	7.9 % (78 of 982)	2.2 % (1 of 46)
Aromatic	0.7 % (2 of 268)	1.5 % (2 of 134)	0.0 % (0 of 128)	0.0 % (0 of 6)
Methyl	4.1 % (18 of 436)	3.7 % (8 of 218)	4.6 % (10 of 218)

1. entity 1

MASPLDQAIG LLVAIFHKYS GREGDKHTLS KKELKELIQK ELTIGSKLQD AEIARLMEDL DRNKDQEVNF QEYVTFLGAL ALIYNEALKG

2. entity 2

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	S100A6 C3S	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	20 mM
3	Calcium chloride	natural abundance	10 mM
4	sodium azide	natural abundance	0.01 %

Chem. Shift Complete3

Sequence coverage: 17.8 %, Completeness: 10.3 %, Completeness (bb): 15.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	10.3 % (705 of 6822)	7.0 % (250 of 3591)	12.6 % (331 of 2619)	20.3 % (124 of 612)
Backbone	15.7 % (532 of 3378)	12.7 % (148 of 1164)	15.7 % (262 of 1671)	22.5 % (122 of 543)
Sidechain	5.7 % (225 of 3969)	4.2 % (103 of 2427)	8.1 % (120 of 1473)	2.9 % (2 of 69)
Aromatic	0.7 % (3 of 402)	1.0 % (2 of 201)	0.0 % (0 of 192)	11.1 % (1 of 9)
Methyl	7.2 % (47 of 654)	6.7 % (22 of 327)	7.6 % (25 of 327)

1. entity 1

MASPLDQAIG LLVAIFHKYS GREGDKHTLS KKELKELIQK ELTIGSKLQD AEIARLMEDL DRNKDQEVNF QEYVTFLGAL ALIYNEALKG

2. entity 2

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	S100A6 C3S	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	20 mM
3	Calcium chloride	natural abundance	10 mM
4	sodium azide	natural abundance	0.01 %

Chem. Shift Complete4

Sequence coverage: 12.0 %, Completeness: 9.0 %, Completeness (bb): 13.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	9.0 % (816 of 9096)	6.6 % (315 of 4788)	10.5 % (365 of 3492)	16.7 % (136 of 816)
Backbone	13.0 % (586 of 4504)	11.1 % (173 of 1552)	12.6 % (280 of 2228)	18.4 % (133 of 724)
Sidechain	5.5 % (289 of 5292)	4.4 % (143 of 3236)	7.3 % (143 of 1964)	3.3 % (3 of 92)
Aromatic	1.5 % (8 of 536)	2.6 % (7 of 268)	0.0 % (0 of 256)	8.3 % (1 of 12)
Methyl	6.0 % (52 of 872)	5.7 % (25 of 436)	6.2 % (27 of 436)

1. entity 1

MASPLDQAIG LLVAIFHKYS GREGDKHTLS KKELKELIQK ELTIGSKLQD AEIARLMEDL DRNKDQEVNF QEYVTFLGAL ALIYNEALKG

2. entity 2

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	S100A6 C3S	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	20 mM
3	Calcium chloride	natural abundance	10 mM
4	sodium azide	natural abundance	0.01 %

Chem. Shift Complete5

Sequence coverage: 9.4 %, Completeness: 7.8 %, Completeness (bb): 11.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	7.8 % (889 of 11370)	5.9 % (352 of 5985)	9.0 % (393 of 4365)	14.1 % (144 of 1020)
Backbone	11.1 % (627 of 5630)	9.8 % (191 of 1940)	10.6 % (295 of 2785)	15.6 % (141 of 905)
Sidechain	4.9 % (321 of 6615)	3.9 % (158 of 4045)	6.5 % (160 of 2455)	2.6 % (3 of 115)
Aromatic	1.2 % (8 of 670)	2.1 % (7 of 335)	0.0 % (0 of 320)	6.7 % (1 of 15)
Methyl	5.1 % (56 of 1090)	5.0 % (27 of 545)	5.3 % (29 of 545)

1. entity 1

MASPLDQAIG LLVAIFHKYS GREGDKHTLS KKELKELIQK ELTIGSKLQD AEIARLMEDL DRNKDQEVNF QEYVTFLGAL ALIYNEALKG

2. entity 2

AMAQNITARI GEPLVLKCKG APKKPPQRLE WKLNTGRTEA WKVLSPQGGG PWDSVARVLP NGSLFLPAVG IQDEGIFRCQ AMNRNGKETK SNYRVRVYQI P

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	S100A6 C3S	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	20 mM
3	Calcium chloride	natural abundance	10 mM
4	sodium azide	natural abundance	0.01 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2M1K, Strand ID: A, B, C, D Detail

Release date

2015-03-18

Citation

Interaction of the S100A6 mutant (C3S) with the V domain of the receptor for advanced glycation end products (RAGE)
Mohan, S.K., Gupta, A.A., Yu, C.
Biochem. Biophys. Res. Commun. (2013), 434, 328-333, PubMed 23537648 , DOI 10.1016/j.bbrc.2013.03.049 , Abstract

Related entities 1. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 1, : 1 : 71 entities Detail

Related entities 2. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 2, : 1 : 15 : 10 : 210 entities Detail

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	S100A6 C3S	[U-100% 13C; U-100% 15N]	1.0 mM
2	TRIS	natural abundance	20 mM
3	Calcium chloride	natural abundance	10 mM
4	sodium azide	natural abundance	0.01 %

nullKeywords S100A6 C3S, RAGE V, heterotetrameric, HADDOCK model

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Found 1 Document (1.883 seconds)

BMRB: 18868

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Related entities 1. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 1, : 1 : 71 entities Detail

Related entities 2. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 2, : 1 : 15 : 10 : 210 entities Detail

Interaction partners 2. Human S100A6 (C3S) with V domain of Receptor for Advanced Glycation End products (RAGE), entity 2, : 17 interactors Detail

Experiments performed 7 experiments Detail

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