BMRB: 16772

SOLUTION STRUCTURE OF CI-MPR ligand-free domain 5

Authors

Olson, L.J., Peterson, F.C., Volkman, B.F., Dahms, N.M.

Assembly

CI-MPR domain5

Entity

1. CI-MPR domain5 (polymer, Thiol state: all disulfide bound), 148 monomers, 16742.19 Da Detail

EAEAEFLSRT EGDNCTVFDS QAGFSFDLTP LTKKDAYKVE TDKYEFHINV CGPVSVGACP PDSGACQVSR SDRKSWNLGR SNAKLSYYDG MIQLTYRDGT PYNNEKRTPR ATLITFLCDR DAGVGFPEYQ EEDNSTYNFR WYTSYACP

Formula weight

16742.19 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS15:SG	1:CYS51:SG
2	disulfide	sing	1:CYS59:SG	1:CYS66:SG
3	disulfide	sing	1:CYS118:SG	1:CYS147:SG

Source organism

Bos taurus

Exptl. method

solution NMR

Refine. method

AUTOMATED METHODS WERE USED FOR BACKBONE CHEMICAL SHIFT ASSIGNMENT AND ITERATIVE NOE REFINEMENT. FINAL STRUCTURES WERE OBTAINED BY MOLECULAR DYNAMICS IN EXPLICIT SOLVENT

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.6 %, Completeness: 89.8 %, Completeness (bb): 95.2 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.8 % (1510 of 1682)	90.1 % (786 of 872)	87.7 % (575 of 656)	96.8 % (149 of 154)
Backbone	95.2 % (830 of 872)	96.6 % (288 of 298)	93.5 % (406 of 434)	97.1 % (136 of 140)
Sidechain	85.4 % (810 of 948)	86.8 % (498 of 574)	83.1 % (299 of 360)	92.9 % (13 of 14)
Aromatic	65.4 % (123 of 188)	79.8 % (75 of 94)	50.0 % (46 of 92)	100.0 % (2 of 2)
Methyl	96.6 % (112 of 116)	96.6 % (56 of 58)	96.6 % (56 of 58)

1. CI-MPR domain5

EAEAEFLSRT EGDNCTVFDS QAGFSFDLTP LTKKDAYKVE TDKYEFHINV CGPVSVGACP PDSGACQVSR SDRKSWNLGR SNAKLSYYDG MIQLTYRDGT PYNNEKRTPR ATLITFLCDR DAGVGFPEYQ EEDNSTYNFR WYTSYACP

Show sample condition

Sample

Solvent system 95% H2O, 5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5, Details 1.0 mM domain-5 U-15N/13C, 10 mM bis-Tris, 150 mM sodium chloride

#	Name	Isotope labeling	Type	Concentration
1	CI-MPR domain5	[U-100% 13C; U-100% 15N]		1 mM
2	bis-tris	[U-2H]		10 mM
3	sodium chloride	natural abundance		150 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

Hide sample codition

LACS Plot; CA

Referencing offset: -0.41 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CB

Referencing offset: -0.41 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; HA

Referencing offset: -0.16 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Hide chemical shift referencing parameters

LACS Plot; CO

Referencing offset: 0.38 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

Hide chemical shift referencing parameters

Protein Blocks Logo

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

---

Release date

2012-08-02

Citation

Structural basis for recognition of phosphodiester-containing lysosomal enzymes by the cation-independent mannose 6-phosphate receptor
Olson, L.J., Peterson, F.C., Castonguay, A., Bohnsack, R.N., Kudo, M., Gotschall, R.R., Canfield, W.M., Volkman, B.F., Dahms, N.M.
Proc. Natl. Acad. Sci. U. S. A. (2010), 107, 12493-12498, PubMed 20615935 , DOI 10.1073/pnas.1004232107 , Abstract

Related entities 1. CI-MPR domain5, : 1 : 1 : 3 : 148 entities Detail

Interaction partners 1. CI-MPR domain5, : 39 interactors Detail

Experiments performed 3 experiments Detail