BMRB: 18628

1H, 13C, and 15N Backbone and Sidechain Resonance Assignments for Cyclophilin A from Geobacillus Kaustophilus

Authors

Holliday, M.J., Isern, N.G., Geoffrey, A.S., Zhang, F., Eisenmesser, E.Z.

Assembly

MS1

Entity

1. MS1 (polymer, Thiol state: all free), 146 monomers, 15971.87 Da Detail

MAKKGYILME NGGKIEFELF PNEAPVTVAN FEKLANEGFY NGLTFHRVIP GFVSQGGCPR GNGTGDAGYT IPCETDNNPH RHVTGAMSMA HRGRDTGSCQ FFIVHEPQPH LDGVHTVFGQ VTSGMDVVRT MKNGDVMKEV KVFDEP

Formula weight

15971.87 Da

Source organism

Geobacillus kaustophilus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.1 %, Completeness (bb): 98.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.1 % (1531 of 1644)	93.0 % (792 of 852)	92.4 % (593 of 642)	97.3 % (146 of 150)
Backbone	98.7 % (847 of 858)	99.3 % (300 of 302)	97.9 % (410 of 419)	100.0 % (137 of 137)
Sidechain	88.9 % (812 of 913)	89.5 % (492 of 550)	88.9 % (311 of 350)	69.2 % (9 of 13)
Aromatic	56.6 % (86 of 152)	57.9 % (44 of 76)	55.3 % (42 of 76)
Methyl	99.2 % (129 of 130)	100.0 % (65 of 65)	98.5 % (64 of 65)

1. gCypA

MAKKGYILME NGGKIEFELF PNEAPVTVAN FEKLANEGFY NGLTFHRVIP GFVSQGGCPR GNGTGDAGYT IPCETDNNPH RHVTGAMSMA HRGRDTGSCQ FFIVHEPQPH LDGVHTVFGQ VTSGMDVVRT MKNGDVMKEV KVFDEP

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1.000 atm, Temperature 298.000 K, pH 6.500

#	Name	Isotope labeling	Type	Concentration
1	GeoCyp	[U-100% 13C; U-100% 15N]		1.0 mM
2	H2O	natural abundance		93 %
3	D2O	natural abundance		7 %
4	DTT	natural abundance		1 mM
5	sodium phosphate	natural abundance		50 mM

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LACS Plot; CA

Referencing offset: -0.32 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
15C	water	protons	4.773 ppm	internal	indirect	0.1013292
1H	water	protons	4.773 ppm	internal	direct	1.0
13N	water	protons	4.773 ppm	internal	indirect	0.251435

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LACS Plot; CB

Referencing offset: -0.32 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
15C	water	protons	4.773 ppm	internal	indirect	0.1013292
1H	water	protons	4.773 ppm	internal	direct	1.0
13N	water	protons	4.773 ppm	internal	indirect	0.251435

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LACS Plot; HA

Referencing offset: -0.09 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
15C	water	protons	4.773 ppm	internal	indirect	0.1013292
1H	water	protons	4.773 ppm	internal	direct	1.0
13N	water	protons	4.773 ppm	internal	indirect	0.251435

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LACS Plot; CO

Referencing offset: 0.35 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
15C	water	protons	4.773 ppm	internal	indirect	0.1013292
1H	water	protons	4.773 ppm	internal	direct	1.0
13N	water	protons	4.773 ppm	internal	indirect	0.251435

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Protein Blocks Logo

Calculated from 20 models in PDB: 2MVZ, Strand ID: A Detail

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Release date

2013-02-11

Citation

1H, 13C, and 15N backbone and side chain resonance assignments of thermophilic Geobacillus kaustophilus cyclophilin-A
Holliday, M.J., Zhang, F., Isern, N.G., Armstrong, G.S., Eisenmesser, E.Z.
Biomol. NMR Assign. (2014), 8, 23-27, PubMed 23138858 , DOI 10.1007/s12104-012-9445-3 , Abstract

Related entities 1. MS1, : 1 : 278 entities Detail

Experiments performed 14 experiments Detail