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BMRB: 25757

2N6A

NMR structure of a human calmodulin / rat connexion-36 peptide hybrid

Authors

Donaldson, L.

Assembly

calmodulin-connexin36

Entity

1. calmodulin-connexin36, entity 1 (polymer, Thiol state: all free), 173 monomers, 19453.31 Da Detail

HHHHHHTEEQ IAEFKEAFSL FDKDGDGTIT TKELGTVMRS LGQNPTEAEL QDMINEVDAD GNGTIDFPEF LTMMARKMKD TDSEEEIREA FRVFDKDGNG YISAAELRHV MTNLGEKLTD EEVDEMIREA DIDGDGQVNY EEFVQMMTGA STAAGSGWRK IKLAVRGAQA KRK

2. calmodulin-connexin36, entity CA (non-polymer), 40.078 × 4 Da

Total weight

19613.623 Da

Max. entity weight

19453.31 Da

Entity Connection

metal coordination 24 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:THR64:O	2:CA1:CA
2	metal coordination	sing	1:GLU142:OE2	2:CA1:CA
3	metal coordination	sing	1:ASP97:OD2	2:CA1:CA
4	metal coordination	sing	1:GLU33:OE1	2:CA1:CA
5	metal coordination	sing	1:THR28:O	2:CA1:CA
6	metal coordination	sing	1:ASP135:OD2	2:CA1:CA
7	metal coordination	sing	1:ASN99:OD1	2:CA1:CA
8	metal coordination	sing	1:ASP131:OD1	2:CA1:CA
9	metal coordination	sing	1:GLU106:OE1	2:CA1:CA
10	metal coordination	sing	1:TYR101:O	2:CA1:CA
11	metal coordination	sing	1:GLU69:OE2	2:CA1:CA
12	metal coordination	sing	1:ASP26:OD2	2:CA1:CA
13	metal coordination	sing	1:ASP60:OD1	2:CA1:CA
14	metal coordination	sing	1:ASP22:OD1	2:CA1:CA
15	metal coordination	sing	1:GLU33:OE2	2:CA1:CA
16	metal coordination	sing	1:ASP24:OD2	2:CA1:CA
17	metal coordination	sing	1:ASP95:OD1	2:CA1:CA
18	metal coordination	sing	1:ASN62:OD1	2:CA1:CA
19	metal coordination	sing	1:ASP133:OD1	2:CA1:CA
20	metal coordination	sing	1:GLU106:OE2	2:CA1:CA
21	metal coordination	sing	1:GLN137:O	2:CA1:CA
22	metal coordination	sing	1:GLU142:OE1	2:CA1:CA
23	metal coordination	sing	1:ASP58:OD1	2:CA1:CA
24	metal coordination	sing	1:GLU69:OE1	2:CA1:CA

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.5 %, Completeness: 78.0 %, Completeness (bb): 91.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.0 % (1523 of 1952)	71.8 % (728 of 1014)	84.2 % (635 of 754)	87.0 % (160 of 184)
Backbone	91.8 % (949 of 1034)	88.6 % (318 of 359)	93.7 % (472 of 504)	93.0 % (159 of 171)
Sidechain	67.3 % (724 of 1076)	62.6 % (410 of 655)	76.7 % (313 of 408)	7.7 % (1 of 13)
Aromatic	52.9 % (72 of 136)	52.9 % (36 of 68)	52.2 % (35 of 67)	100.0 % (1 of 1)
Methyl	95.0 % (152 of 160)	96.2 % (77 of 80)	93.8 % (75 of 80)

1. entity 1

HHHHHHTEEQ IAEFKEAFSL FDKDGDGTIT TKELGTVMRS LGQNPTEAEL QDMINEVDAD GNGTIDFPEF LTMMARKMKD TDSEEEIREA FRVFDKDGNG YISAAELRHV MTNLGEKLTD EEVDEMIREA DIDGDGQVNY EEFVQMMTGA STAAGSGWRK IKLAVRGAQA KRK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	2.0 mM
2	sodium azide	natural abundance	0.05 % w/v
3	sodium chloride	natural abundance	25 mM
4	Tris	natural abundance	5 mM

LACS Plot; CA

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

Referencing offset: 0.12 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.12 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.65 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 18 models in PDB: 2N6A, Strand ID: A Detail

Release date

2015-08-20

Citation

Structural and Functional Consequences of Connexin 36 (Cx36) Interaction with Calmodulin
Siu, R.C., Smirnova, E., Brown, C.A., Zoidl, C., Spray, D.C., Donaldson, L.W., Zoidl, G.
Front. Mol. Neurosci. (2016), 9, 120-120, PubMed 27917108 , DOI 10.3389/fnmol.2016.00120 , Abstract

Related entities 1. calmodulin-connexin36, entity 1, : 1 : 99 : 183 entities Detail

Interaction partners 1. calmodulin-connexin36, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC