BMRB: 5212

SAP/SH2D1A bound to peptide n-pY

Authors

Hwang, P.M., Li, C., Morra, M., Lillywhite, J., Gertler, F., Terhorst, C., Kay, L.E., Pawson, T., Forman-Kay, J., Li, S.

Assembly

SAP/SH2D1A bound to peptide n-pY

Entity

1. SAP/SH2D1A (polymer, Thiol state: all free), 128 monomers, 14187.02 Da Detail

MDAVAVYHGK ISRETGEKLL LATGLDGSYL LRDSESVPGV YCLCVLYHGY IYTYRVSQTE TGSWSAETAP GVHKRYFRKI KNLISAFQKP DQGIVIPLQY PVEKKSSARS TQGTTGIRED PDVCLKAP

2. peptide n-pY (polymer, Thiol state: not present), 9 monomers, 1029.108 Da Detail

RKSLTIXAX

Total weight

15216.128 Da

Max. entity weight

14187.02 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 92.7 %, Completeness: 90.0 %, Completeness (bb): 91.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.0 % (1402 of 1558)	89.6 % (724 of 808)	90.2 % (555 of 615)	91.1 % (123 of 135)
Backbone	91.2 % (726 of 796)	90.9 % (249 of 274)	91.4 % (360 of 394)	91.4 % (117 of 128)
Sidechain	88.9 % (788 of 886)	89.0 % (475 of 534)	89.0 % (307 of 345)	85.7 % (6 of 7)
Aromatic	86.2 % (100 of 116)	86.2 % (50 of 58)	86.0 % (49 of 57)	100.0 % (1 of 1)
Methyl	91.1 % (144 of 158)	91.1 % (72 of 79)	91.1 % (72 of 79)

1. SAP/SH2D1A

MDAVAVYHGK ISRETGEKLL LATGLDGSYL LRDSESVPGV YCLCVLYHGY IYTYRVSQTE TGSWSAETAP GVHKRYFRKI KNLISAFQKP DQGIVIPLQY PVEKKSSARS TQGTTGIRED PDVCLKAP

2. peptide n-pY

RKSLTIXAX

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	SAP/SH2D1A	[U-15N; U-13C]		1 mM
2	peptide n-pY			1 mM
3	phosphate buffer			20 mM
4	NaCl			100 mM
5	H2O			90 %
6	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 28.5 %, Completeness: 52.8 %, Completeness (bb): 54.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	52.8 % (1645 of 3116)	54.1 % (874 of 1616)	50.4 % (620 of 1230)	55.9 % (151 of 270)
Backbone	54.3 % (865 of 1592)	56.6 % (310 of 548)	52.3 % (412 of 788)	55.9 % (143 of 256)
Sidechain	51.3 % (909 of 1772)	52.8 % (564 of 1068)	48.8 % (337 of 690)	57.1 % (8 of 14)
Aromatic	43.1 % (100 of 232)	43.1 % (50 of 116)	43.0 % (49 of 114)	50.0 % (1 of 2)
Methyl	51.9 % (164 of 316)	54.4 % (86 of 158)	49.4 % (78 of 158)

1. SAP/SH2D1A

MDAVAVYHGK ISRETGEKLL LATGLDGSYL LRDSESVPGV YCLCVLYHGY IYTYRVSQTE TGSWSAETAP GVHKRYFRKI KNLISAFQKP DQGIVIPLQY PVEKKSSARS TQGTTGIRED PDVCLKAP

2. peptide n-pY

RKSLTIXAX

Show sample condition

Sample

Pressure 1 atm, Temperature 303 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	SAP/SH2D1A	[U-15N; U-13C]		1 mM
2	peptide n-pY			1 mM
3	phosphate buffer			20 mM
4	NaCl			100 mM
5	H2O			90 %
6	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 1KA6, Strand ID: A, B Detail

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Release date

2002-05-07

Citation

A "three-pronged" binding mechanism for the SAP/SH2D1A SH2 domain: structural basis and relevance to the XLP syndrome
Hwang, P.M., Li, C., Morra, M., Lillywhite, J., Muhandiram, D.R., Gertler, F., Terhorst, C., Kay, L.E., Pawson, T., Forman-Kay, J., Li, S.
EMBO J. (2002), 21, 314-323, PubMed 11823424 , DOI 10.1093/emboj/21.3.314 , Abstract

Related entities 1. SAP/SH2D1A, : 1 : 23 entities Detail

Experiments performed 3 experiments Detail