BMRB: 7306

R21A Spc-SH3 bound

Authors

van Nuland, N.A.J., Casares, S., AB, E., Eshuis, H., Lopez-Mayorga, O., Conejero-Lara, F.

Assembly

R21A Spc-SH3 monomer

Entity

1. R21A Spc-SH3 bound (polymer, Thiol state: not present), 62 monomers, 7134.053 Da Detail

MDETGKELVL ALYDYQEKSP AEVTMKKGDI LTLLNSTNKD WWKVEVNDRQ GFVPAAYVKK LD

2. p41-SH3 (polymer, Thiol state: not present), 11 monomers, 1035.148 Da Detail

XAPSYSPPPP P

Total weight

8169.201 Da

Max. entity weight

7134.053 Da

Source organism

Gallus gallus

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 84.9 %, Completeness: 85.6 %, Completeness (bb): 89.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	85.6 % (385 of 450)	85.6 % (385 of 450)
Backbone	89.2 % (124 of 139)	89.2 % (124 of 139)
Sidechain	83.9 % (261 of 311)	83.9 % (261 of 311)
Aromatic	87.9 % (29 of 33)	87.9 % (29 of 33)
Methyl	97.3 % (36 of 37)	97.3 % (36 of 37)

1. R21A Spc-SH3 bound

MDETGKELVL ALYDYQEKSP AEVTMKKGDI LTLLNSTNKD WWKVEVNDRQ GFVPAAYVKK LD

2. p41-SH3

XAPSYSPPPP P

Show sample condition

Sample

Temperature 300 (±0.1) K, pH 3.5 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	R21A Spc-SH3 bound			2 mM
2	P41
3	H2O			90 %
4	D2O			10 %
5	d5-glycine			20 mM

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Calculated from 20 models in PDB: 2JM9, Strand ID: A Detail

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Release date

2007-05-03

Citation

The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: understanding the determinants of binding affinity by comparison with Abl-SH3
Casares, S., AB, E., Eshuis, H., Lopez-Mayorga, O., van Nuland, N.A.J., Conejero-Lara, F.
BMC Struct. Biol. (2007), 7, 22-22, PubMed 17407569 , DOI 10.1186/1472-6807-7-22 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. R21A Spc-SH3 bound, : 8 : 211 entities Detail

Experiments performed 2 experiments Detail