BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	96.4 % (1434 of 1487)	97.7 % (753 of 771)	93.9 % (541 of 576)	100.0 % (140 of 140)
Backbone	99.5 % (756 of 760)	100.0 % (266 of 266)	98.9 % (364 of 368)	100.0 % (126 of 126)
Sidechain	94.2 % (792 of 841)	96.4 % (487 of 505)	90.4 % (291 of 322)	100.0 % (14 of 14)
Aromatic	75.0 % (102 of 136)	91.2 % (62 of 68)	58.2 % (39 of 67)	100.0 % (1 of 1)
Methyl	97.6 % (121 of 124)	98.4 % (61 of 62)	96.8 % (60 of 62)

1. entity 1

AFTGKFEMES EKNYDEFMKL LGISSDVIEK ARNFKIVTEV QQDGQDFTWS QHYSGGHTMT NKFTVGKESN IQTMGGKTFK ATVQMEGGKL VVNFPNYHQT SEIVGDKLVE VSTIGGVTYE RVSKRLA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	human ileal bile acid-binding protein	[U-13C; U-15N]	1.0 mM
2	GLYCOCHOLIC ACID	natural abundance	1.5 mM
3	GLYCOCHENODEOXYCHOLIC ACID	natural abundance	1.5 mM
4	potassium phosphate	natural abundance	20 mM
5	potassium chloride	natural abundance	50 mM
6	sodium azide	natural abundance	0.05 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3

#	Name	Isotope labeling	Concentration
7	human ileal bile acid-binding protein	natural abundance	1.0 mM
8	GLYCOCHOLIC ACID	[U-15N]	1.5 mM
9	GLYCOCHENODEOXYCHOLIC ACID	[U-15N]	1.5 mM
10	potassium phosphate	natural abundance	20 mM
11	potassium chloride	natural abundance	50 mM
12	sodium azide	natural abundance	0.05 %

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3

#	Name	Isotope labeling	Concentration
13	human ileal bile acid-binding protein	natural abundance	1.0 mM
14	GLYCOCHOLIC ACID	[1',2'-13C]	1.5 mM
15	GLYCOCHENODEOXYCHOLIC ACID	[1',2'-13C]	1.5 mM
16	potassium phosphate	natural abundance	20 mM
17	potassium chloride	natural abundance	50 mM
18	sodium azide	natural abundance	0.05 %

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3

#	Name	Isotope labeling	Concentration
19	human ileal bile acid-binding protein	natural abundance	1.0 mM
20	GLYCOCHOLIC ACID	[3,4-13C]	1.5 mM
21	GLYCOCHENODEOXYCHOLIC ACID	[3,4-13C]	1.5 mM
22	potassium phosphate	natural abundance	20 mM
23	potassium chloride	natural abundance	50 mM
24	sodium azide	natural abundance	0.05 %

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.3

#	Name	Isotope labeling	Concentration
25	human ileal bile acid-binding protein	natural abundance	1.0 mM
26	GLYCOCHOLIC ACID	[23,24-13C]	1.5 mM
27	GLYCOCHENODEOXYCHOLIC ACID	[23,24-13C]	1.5 mM
28	potassium phosphate	natural abundance	20 mM
29	potassium chloride	natural abundance	50 mM
30	sodium azide	natural abundance	0.05 %

LACS Plot; CA

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

Referencing offset: -0.36 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.36 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.16 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.53 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MM3, Strand ID: A Detail

Release date

2014-05-04

Citation 1

Structural determinants of ligand binding in the ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate obtained from solution NMR
Horvath, G., Egyed, O., Bencsura, A., Simon, A., Tochtrop, G.P., DeKoster, G.T., Covey, D.F., Cistola, D.P., Toke, O.
FEBS J. (2015), PubMed 26613247 , DOI 10.1111/febs.13610 , Abstract

Show more 4 citaions

Citation 2

Determinants of cooperativity and site selectivity in human ileal bile acid binding protein
Toke, O., Monsey, J.D., DeKoster, G.T., Tochtrop, G.P., Tang, C., Cistola, D.P.
Biochemistry (2006), 45, 727-737, PubMed 16411748 , DOI 10.1021/bi051781p , Abstract

Citation 3

A single hydroxyl group governs ligand site selectivity in human ileal bile acid binding protein
Tochtrop, G.P., DeKoster, G.T., Covey, D.F., Cistola, D.P.
J. Am. Chem. Soc. (2004), 126, 11024-11029, PubMed 15339188 , DOI 10.1021/ja047589c , Abstract

Citation 4

Kinetic mechanism of ligand binding in human ileal bile acid binding protein as determined by stopped-flow fluorescence analysis
Toke, O., Monsey, J., Cistola, D.P.
Biochemistry (2007), 46, 5427-5436, PubMed 17432832 , DOI 10.1021/bi700030r , Abstract

Citation 5

Internal motions and exchange processes in human ileal bile acid binding protein as studied by backbone (15)N nuclear magnetic resonance spectroscopy
Horvath, G., Kiraly, P., Tarkanyi, G., Toke, O.
Biochemistry (2012), 51, 1848-1861, PubMed 22329738 , DOI 10.1021/bi201588q , Abstract

Hide non-primary 4 citaions

Related entities 1. ternary complex of human ileal bile acid-binding protein with glycocholate and glycochenodeoxycholate, entity 1, : 1 : 7 : 189 entities Detail

Experiments performed 27 experiments Detail

1 2D 1H-15N HSQC