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BMRB: 19423

2MC1

Solution structure of the Vav1 SH2 domain complexed with a Syk-derived singly phosphorylated peptide

Authors

Chen, C., Piraner, D., Gorenstein, N.M., Geahlen, R.L., Post, C.B.

Assembly

Vav1 SH2 domain complex

Entity

1. Vav1 SH2 domain complex, entity 1 (polymer), 106 monomers, 12259.94 Da Detail

HMQDLSVHLW YAGPMERAGA ESILANRSDG TFLVRQRVKD AAEFAISIKY NVEVKHIKIM TAEGLYRITE KKAFRGLTEL VEFYQQNSLK DCFKSLDTTL QFPFKE

2. Vav1 SH2 domain complex, entity 2 (polymer, Thiol state: not present), 13 monomers, 1594.478 Da Detail

DTEVYESPXA DPE

3. O-PHOSPHOTYROSINE (non-polymer), 261.168 Da

Total weight

14115.586 Da

Max. entity weight

12259.94 Da

Source organism

Homo sapiens , Mus musculus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 86.6 %, Completeness: 68.7 %, Completeness (bb): 72.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	68.7 % (970 of 1411)	71.7 % (526 of 734)	62.8 % (348 of 554)	78.0 % (96 of 123)
Backbone	72.3 % (506 of 700)	84.0 % (199 of 237)	60.7 % (212 of 349)	83.3 % (95 of 114)
Sidechain	67.8 % (559 of 824)	65.8 % (327 of 497)	72.6 % (231 of 318)	11.1 % (1 of 9)
Aromatic	25.4 % (34 of 134)	25.4 % (17 of 67)	25.8 % (17 of 66)	0.0 % (0 of 1)
Methyl	92.1 % (116 of 126)	92.1 % (58 of 63)	92.1 % (58 of 63)

1. entity 1

HMQDLSVHLW YAGPMERAGA ESILANRSDG TFLVRQRVKD AAEFAISIKY NVEVKHIKIM TAEGLYRITE KKAFRGLTEL VEFYQQNSLK DCFKSLDTTL QFPFKE

2. entity 2

DTEVYESPXA DPE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	TRIS	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	DTT	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Chem. Shift Complete2

Sequence coverage: 28.6 %, Completeness: 43.4 %, Completeness (bb): 46.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.4 % (1224 of 2822)	45.9 % (674 of 1468)	38.9 % (431 of 1108)	48.4 % (119 of 246)
Backbone	46.8 % (655 of 1400)	55.3 % (262 of 474)	39.4 % (275 of 698)	51.8 % (118 of 228)
Sidechain	41.5 % (684 of 1648)	41.4 % (412 of 994)	42.6 % (271 of 636)	5.6 % (1 of 18)
Aromatic	19.0 % (51 of 268)	21.6 % (29 of 134)	16.7 % (22 of 132)	0.0 % (0 of 2)
Methyl	56.0 % (141 of 252)	57.1 % (72 of 126)	54.8 % (69 of 126)

1. entity 1

HMQDLSVHLW YAGPMERAGA ESILANRSDG TFLVRQRVKD AAEFAISIKY NVEVKHIKIM TAEGLYRITE KKAFRGLTEL VEFYQQNSLK DCFKSLDTTL QFPFKE

2. entity 2

DTEVYESPXA DPE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	entity_1	[U-99% 13C; U-99% 15N]	1 mM
2	entity_2	natural abundance	1 mM
3	TRIS	natural abundance	20 mM
4	sodium chloride	natural abundance	100 mM
5	DTT	natural abundance	1 mM
6	sodium azide	natural abundance	0.02 %
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2MC1, Strand ID: A, B Detail

Release date

2013-08-25

Citation

Differential recognition of syk-binding sites by each of the two phosphotyrosine-binding pockets of the Vav SH2 domain
Chen, C., Piraner, D., Gorenstein, N.M., Geahlen, R.L., Beth Post, C.
Biopolymers (2013), 99, 897-907, PubMed 23955592 , DOI 10.1002/bip.22371 , Abstract

Related entities 1. Vav1 SH2 domain complex, entity 1, : 3 : 191 entities Detail

Related entities 2. Vav1 SH2 domain complex, entity 2, : 1 : 18 : 8 entities Detail

Interaction partners 1. Vav1 SH2 domain complex, entity 1, : 23 : 1 interactors Detail

More details for 24 interactors identified by 20 citations

Interaction partners 2. Vav1 SH2 domain complex, entity 2, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC