BMRB: 16660

SOLUTION CONFORMATION OF SUBSTANCE P IN WATER COMPLEXED WITH NK1R

Authors

Gayen, A., Mukhopadhyay, C.

Assembly

Substance P-NK1 complex

Entity

1. Substance P (polymer, Thiol state: not present), 11 monomers, 1348.612 Da Detail

RPKPQQFFGL M

2. NK1R (polymer, Thiol state: not present), 375 monomers, 42976.15 Da Detail

MDNVLPVDSD LSPNISTNTS EPNQFVQPAW QIVLWAAAYT VIVVTSVVGN VVVMWIILAH KRMRTVTNYF LVNLAFAEAS MAAFNTVVNF TYAVHNEWYY GLFYCKFHNF FPIAAVFASI YSMTAVAFDR YMAIIHPLQP RLSATATKVV ICVIWVLALL LAFPQGYYST TETMPSRVVC MIEWPEHPNK IYEKVYHICV TVLIYFLPLL VIGYAYTVVG ITLWASEIPG DSSDRYHEQV SAKRKVVKMM IVVVCTFAIC WLPFHIFFLL PYINPDLYLK KFIQQVYLAI MWLAMSSTMY NPIIYCCLND RFRLGFKHAF RCCPFISAGD YEGLEMKSTR YLQTQGSVYK VSRLETTIST VVGARPKPQQ FFGLM

Total weight

44324.76 Da

Max. entity weight

42976.15 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 4.7 %, Completeness: 4.1 %, Completeness (bb): 3.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	4.1 % (99 of 2405)	4.1 % (99 of 2405)
Backbone	3.4 % (26 of 763)	3.4 % (26 of 763)
Sidechain	4.4 % (73 of 1642)	4.4 % (73 of 1642)
Aromatic	4.0 % (12 of 298)	4.0 % (12 of 298)
Methyl	1.9 % (5 of 258)	1.9 % (5 of 258)

1. Substance P

RPKPQQFFGL M

2. NK1R

MDNVLPVDSD LSPNISTNTS EPNQFVQPAW QIVLWAAAYT VIVVTSVVGN VVVMWIILAH KRMRTVTNYF LVNLAFAEAS MAAFNTVVNF TYAVHNEWYY GLFYCKFHNF FPIAAVFASI YSMTAVAFDR YMAIIHPLQP RLSATATKVV ICVIWVLALL LAFPQGYYST TETMPSRVVC MIEWPEHPNK IYEKVYHICV TVLIYFLPLL VIGYAYTVVG ITLWASEIPG DSSDRYHEQV SAKRKVVKMM IVVVCTFAIC WLPFHIFFLL PYINPDLYLK KFIQQVYLAI MWLAMSSTMY NPIIYCCLND RFRLGFKHAF RCCPFISAGD YEGLEMKSTR YLQTQGSVYK VSRLETTIST VVGARPKPQQ FFGLM

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.5, Details taken in water of pH 5.5 temp 298K

#	Name	Isotope labeling	Type	Concentration
1	Substance P	natural abundance		3.7 mM
2	NK1R	natural abundance		0.0 ~ 0.0 mM

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Protein Blocks Logo

Calculated from 5 models in PDB: 2KS9, Strand ID: A, B Detail

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Release date

2011-03-16

Citation

NMR evidence of GM1-induced conformational change of Substance P using isotropic bicelles
Gayen, A., Goswami, S., Mukhopadhyay, C.
Biochim. Biophys. Acta (2011), 1808, 127-139, PubMed 20937248 , DOI 10.1016/j.bbamem.2010.09.023 , Abstract

Entries sharing articles BMRB: 3, Swiss-Prot: 1 entries Detail

Related entities 1. Substance P, : 1 : 20 : 1 entities Detail

Related entities 2. NK1R, : 79 entities Detail

Interaction partners 1. Substance P, : 9 interactors Detail

Experiments performed 3 experiments Detail