BMRB: 4430

High resolution solution structure of apo rabbit calcyclin

Authors

Maler, L., Potts, B.C.M., Chazin, W.J.

Assembly

CALCYCLIN (RABBIT)

Entity

1. CALCYCLIN (RABBIT) (polymer, Thiol state: not present), 90 monomers, 10153.61 × 2 Da Detail

MASPLDQAIG LLIGIFHKYS GKEGDKHTLS KKELKELIQK ELTIGSKLQD AEIVKLMDDL DRNKDQEVNF QEYITFLGAL AMIYNEALKG

Total weight

20307.22 Da

Max. entity weight

10153.61 Da

Source organism

Oryctolagus cuniculus

Exptl. method

NMR

Refine. method

DISTANCE GEOMETRY VARIABLE TARGET FUNCTION ALGORITHM, FOLLOWED BY RESTRAINED MOLECULAR DYNAMICS SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.0 %, Completeness (bb): 83.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.0 % (944 of 1085)	95.2 % (541 of 568)	73.6 % (309 of 420)	96.9 % (94 of 97)
Backbone	83.3 % (448 of 538)	96.8 % (180 of 186)	69.2 % (182 of 263)	96.6 % (86 of 89)
Sidechain	91.9 % (579 of 630)	94.5 % (361 of 382)	87.5 % (210 of 240)	100.0 % (8 of 8)
Aromatic	53.2 % (33 of 62)	93.5 % (29 of 31)	12.9 % (4 of 31)
Methyl	100.0 % (110 of 110)	100.0 % (55 of 55)	100.0 % (55 of 55)

1. CALCYCLIN (RABBIT)

MASPLDQAIG LLIGIFHKYS GKEGDKHTLS KKELKELIQK ELTIGSKLQD AEIVKLMDDL DRNKDQEVNF QEYITFLGAL AMIYNEALKG

Show sample condition

Sample

Temperature 300 (±1) K, pH 7.0 (±0.2), Details dimer concentration is between 1-2 mM

#	Name	Isotope labeling	Type	Concentration
1	CALCYCLIN (RABBIT)	[U-13C; U-15N]		1.5 mM
2	Tris-d11			50 mM
3	NaN3			0.05 %

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LACS Plot; CA

Referencing offset: -0.53 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
1H	DSS	na	0.0 ppm	external	indirect	0.0
13C	DSS	na	0.0 ppm	external	indirect	0.0
15N	DSS	na	0.0 ppm	external	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.53 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	na	0.0 ppm	external	indirect	0.0
13C	DSS	na	0.0 ppm	external	indirect	0.0
15N	DSS	na	0.0 ppm	external	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	na	0.0 ppm	external	indirect	0.0
13C	DSS	na	0.0 ppm	external	indirect	0.0
15N	DSS	na	0.0 ppm	external	indirect	0.1013291

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Protein Blocks Logo

Calculated from 22 models in PDB: 2CNP, Strand ID: A, B Detail

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Release date

2000-10-01

Citation 1

High resolution solution structure of apo calcyclin and structural variations in the S100 family of calcium-binding proteins
Maler, L., Potts, B.C.M., Chazin, W.J.
J. Biomol. NMR (1999), 13, 233-247, PubMed 10212984 , DOI 10.2210/pdb2cnp/pdb , Abstract

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Citation 2

The structure of calcyclin reveals a novel homodimeric fold for S100 Ca(2+)-binding proteins
Potts, B.C., Smith, J., Akke, M., Macke, T.J., Okazaki, K., Hidaka, H., Case, D.A., Chazin, W.J.
Nat. Struct. Biol. (1995), 2, 790-796, PubMed 7552751 , Abstract

Citation 3

1H NMR assignments of apo calcyclin and comparative structural analysis with calbindin D9k and S100 beta
Potts, B.C., Carlstrom, G., Okazaki, K., Hidaka, H., Chazin, W.J.
Protein Sci. (1996), 5, 2162-2174, PubMed 8931135 , DOI 10.1002/pro.5560051103 , Abstract

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Related entities 1. CALCYCLIN (RABBIT), : 1 : 5 : 236 entities Detail

Interaction partners 1. CALCYCLIN (RABBIT), : 20 interactors Detail

Experiments performed 2 experiments Detail