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BMRB: 15507

2VCD

Chemical Shift Assignments for Legionella pneumophila Mip bound to rapamycin

Authors

Ceymann, A., Horstmann, M., Ehses, P., Schweimer, K., Faber, C.

Assembly

Mip-rapamycin complex

Entity

1. Mip protein (polymer, Thiol state: not present), 137 monomers, 14650.55 Da Detail

FNKKADENKV KGEAFLTENK NKPGVVVLPS GLQYKVINSG NGVKPGKSDT VTVEYTGRLI DGTVFDSTEK TGKPATFQVS QVIPGWTEAL QLMPAGSTWE IYVPSGLAYG PRSVGGPIGP NETLIFKIHL ISVKKSS

2. RAPAMYCIN IMMUNOSUPPRESSANT DRUG (non-polymer), 914.172 Da

Total weight

15564.722 Da

Max. entity weight

14650.55 Da

Source organism

Legionella pneumophila , Streptomyces hygroscopicus

Exptl. method

solution NMR

Refine. method

ARIA, SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 91.1 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.1 % (1437 of 1577)	87.9 % (720 of 819)	93.7 % (579 of 618)	98.6 % (138 of 140)
Backbone	96.9 % (777 of 802)	96.1 % (269 of 280)	96.7 % (382 of 395)	99.2 % (126 of 127)
Sidechain	87.2 % (781 of 896)	83.7 % (451 of 539)	92.4 % (318 of 344)	92.3 % (12 of 13)
Aromatic	60.9 % (67 of 110)	60.0 % (33 of 55)	60.4 % (32 of 53)	100.0 % (2 of 2)
Methyl	96.2 % (152 of 158)	94.9 % (75 of 79)	97.5 % (77 of 79)

1. Mip protein

FNKKADENKV KGEAFLTENK NKPGVVVLPS GLQYKVINSG NGVKPGKSDT VTVEYTGRLI DGTVFDSTEK TGKPATFQVS QVIPGWTEAL QLMPAGSTWE IYVPSGLAYG PRSVGGPIGP NETLIFKIHL ISVKKSS

Show sample condition

Sample

Solvent system 90 % H2O and 10 % D2O at pH 6.5, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1:1 complex of rapamycin and Mip77-213 dissolved in 20 mM potassium phosphate buffer

#	Name	Isotope labeling	Type	Concentration
1	Mip protein	[U-98% 13C; U-98% 15N]		2 mM
2	Rapamycin	natural abundance		2 mM

LACS Plot; CA

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

Referencing offset: -0.1 ppm, Outliers: 4 Detail

LACS Plot; CB

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

Referencing offset: -0.1 ppm, Outliers: 4 Detail

LACS Plot; HA

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

Referencing offset: -0.13 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.32 ppm, Outliers: 8 Detail

Protein Blocks Logo

Calculated from 16 models in PDB: 2VCD, Strand ID: A Detail

Release date

2008-06-25

Citation

Solution structure of the Legionella pneumophila Mip-rapamycin complex
Ceymann, A., Horstmann, M., Ehses, P., Schweimer, K., Paschke, A., Steinert, M., Faber, C.
BMC Struct. Biol. (2008), 8, 17-17, PubMed 18366641 , DOI 10.1186/1472-6807-8-17 , Abstract