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BMRB: 15007

2NPR

Structural Studies on Plasmodium vivax Merozoite Surface Protein-1

Authors

Babon, J.J., Morgan, W.D., Geoff, K., John, E.F., James, F., Anthony, H.A.

Assembly

msp-1 c-terminal domain

Entity

1. msp-1 c-terminal domain (polymer, Thiol state: all disulfide bound), 90 monomers, 9812.923 Da Detail

TMSSEHTCID TNVPDNAACY RYLDGTEEWR CLLTFKEEGG KCVPASNVTC KDNNGGCAPE AECKMTDSNK IVCKCTKEGS EPLFEGVFCS

Formula weight

9812.923 Da

Entity Connection

disulfide 5 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS8:SG	1:CYS19:SG
2	disulfide	sing	1:CYS31:SG	1:CYS42:SG
3	disulfide	sing	1:CYS50:SG	1:CYS63:SG
4	disulfide	sing	1:CYS57:SG	1:CYS73:SG
5	disulfide	sing	1:CYS75:SG	1:CYS89:SG

Source organism

Plasmodium vivax

Exptl. method

solution NMR

Refine. method

SIMMULATED ANNEALING WITH TAD

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 79.1 %, Completeness (bb): 91.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.1 % (770 of 973)	76.8 % (387 of 504)	78.7 % (296 of 376)	93.5 % (87 of 93)
Backbone	91.4 % (486 of 532)	88.0 % (161 of 183)	92.4 % (243 of 263)	95.3 % (82 of 86)
Sidechain	69.1 % (362 of 524)	70.4 % (226 of 321)	66.8 % (131 of 196)	71.4 % (5 of 7)
Aromatic	0.0 % (0 of 62)	0.0 % (0 of 31)	0.0 % (0 of 30)	0.0 % (0 of 1)
Methyl	97.1 % (68 of 70)	97.1 % (34 of 35)	97.1 % (34 of 35)

1. msp-1

TMSSEHTCID TNVPDNAACY RYLDGTEEWR CLLTFKEEGG KCVPASNVTC KDNNGGCAPE AECKMTDSNK IVCKCTKEGS EPLFEGVFCS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.1) atm, Temperature 303 (±0.1) K, pH 6.5 (±0.1), Details 20mM k-phosphate, pH 6.5, 303K

#	Name	Isotope labeling	Concentration
1	msp-1	[U-100% 13C; U-100% 15N]	0.5 ~ 1.0 (±0.1) mM
2	k-phosphate		20 mM
3	H2O		90 %
4	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.04 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.09 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.66 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2008-02-03

Citation

Structural studies on Plasmodium vivax merozoite surface protein-1
Babon, J.J., Morgan, W.D., Kelly, G., Eccleston, J.F., Feeney, J., Holder, A.A.
Mol. Biochem. Parasitol. (2007), 153, 31-40, PubMed 17343930 , DOI 10.1016/j.molbiopara.2007.01.015 , Abstract

Related entities 1. msp-1 c-terminal domain, : 1 : 33 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC