BMRB: 21024

MDCSGCSRPG cyclic peptide bound to Cu(I) from acidic conditions

Authors

Shoshan, M.S., Shalev, D.E., Tshuva, E.Y.

Assembly

MDCSGCSRPG bound to Cu

Entity

1. MDCSGCSRPG+Cu (polymer, Thiol state: free and other bound), 10 monomers, 1012.144 Da Detail

MDCSGCSRPG

2. COPPER (I) ION (non-polymer), 63.546 Da

Total weight

1075.69 Da

Max. entity weight

1012.144 Da

Entity Connection

peptide 1, metal coordination 2 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	peptide	sing	1:MET1:N	1:GLY10:C
2	metal coordination	sing	1:ASP2:OD1	2:CU11:CU
3	metal coordination	sing	1:CYS6:CB	2:CU11:CU

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, conformer_family_coord_set

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.0 %, Completeness (bb): 100.0 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	98.0 % (48 of 49)	98.0 % (48 of 49)
Backbone	100.0 % (21 of 21)	100.0 % (21 of 21)
Sidechain	96.4 % (27 of 28)	96.4 % (27 of 28)

1. MDCSGCSRPG+Cu

MDCSGCSRPG

Show sample condition

Sample

Solvent system DMSO, Temperature 298 (±0.1) K, Details The peptide was dissolved in triple-distilled water (TDW) at pH 3.0. After lyophilization the apo peptide (2.0 mg, 2.01 umol) was dissolved in DMSO-d6 (500 uL) and was used as a control solution. In a separate flask, the peptide (2.0 mg, 2.01 umol) was dissolved in DMSO-d6 (450 uL) and CuCl was added from a stock solution (50 uL, 40.0 mM) in DMSO-d6, giving a dilution factor of 10 and a final CuCl concentration of 4.0 mM. All work was performed in a nitrogen glove-box. Samples remained colorless throughout the measurement.

#	Name	Isotope labeling	Type	Concentration
1	MDCSGCSRPG	natural abundance	protein	4.0 mM
2	DMSO	[U-2H]		solvent mM
3	CuCl	natural abundance		4.0 mM

Hide sample codition

Release date

2013-03-21

Citation

Peptide models of Cu(I) and Zn(II) metallochaperones: the effect of pH on coordination and mechanistic implications
Shoshan, M.S., Shalev, D.E., Tshuva, E.Y.
Inorg. Chem. (2013), 52, 2993-3000, PubMed 23458158 , DOI 10.1021/ic302404w , Abstract

Entries sharing articles BMRB: 6 entries Detail

Experiments performed 3 experiments Detail

Chemical shift validation 4 contents Detail