BMRB: 5211

SAP/SH2D1A bound to peptide n-Y-c

Authors

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.

Assembly

SAP/SH2D1A bound to peptide n-Y-c

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-Y-c (polymer, Thiol state: not present), 12 monomers, 1434.681 Da Detail

RKSLTIYAQV QK

Total weight

15621.7 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: 90.7 %, Completeness: 86.0 %, Completeness (bb): 87.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.0 % (1401 of 1630)	85.6 % (725 of 847)	86.1 % (552 of 641)	87.3 % (124 of 142)
Backbone	87.8 % (725 of 826)	88.4 % (251 of 284)	87.0 % (356 of 409)	88.7 % (118 of 133)
Sidechain	84.6 % (789 of 933)	84.2 % (474 of 563)	85.6 % (309 of 361)	66.7 % (6 of 9)
Aromatic	80.6 % (100 of 124)	80.6 % (50 of 62)	80.3 % (49 of 61)	100.0 % (1 of 1)
Methyl	88.3 % (143 of 162)	87.7 % (71 of 81)	88.9 % (72 of 81)

1. SAP/SH2D1A

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

2. peptide n-Y-c

RKSLTIYAQV QK

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-Y-c			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: 37.9 %, Completeness: 53.2 %, Completeness (bb): 56.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	53.2 % (1735 of 3260)	53.9 % (913 of 1694)	51.2 % (656 of 1282)	58.5 % (166 of 284)
Backbone	56.0 % (925 of 1652)	58.8 % (334 of 568)	52.7 % (431 of 818)	60.2 % (160 of 266)
Sidechain	50.7 % (946 of 1866)	51.4 % (579 of 1126)	50.0 % (361 of 722)	33.3 % (6 of 18)
Aromatic	41.9 % (104 of 248)	43.5 % (54 of 124)	40.2 % (49 of 122)	50.0 % (1 of 2)
Methyl	56.8 % (184 of 324)	58.6 % (95 of 162)	54.9 % (89 of 162)

1. SAP/SH2D1A

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

2. peptide n-Y-c

RKSLTIYAQV QK

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-Y-c			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: 1KA7, 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

Related entities 2. peptide n-Y-c, : 1 : 1 : 4 : 1 entities Detail

Experiments performed 3 experiments Detail