BMRB: 5670

Structural Characterization of Hellethionins from helleborus purpurascens

Authors

Milbradt, A.G., Kerek, F., Moroder, L., Renner, C.

Assembly

Hellethionin D

Entity

1. Hellethionin D (polymer, Thiol state: all disulfide bound), 46 monomers, 4909.567 Da Detail

KSCCRNTLAR NCYNACRFTG GSQPTCGILC DCIHVTTTTC PSSHPS

Formula weight

4909.567 Da

Entity Connection

disulfide 4 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS3:SG	1:CYS40:SG
2	disulfide	sing	0:CYS12:SG	1:CYS30:SG
3	disulfide	sing	0:CYS16:SG	1:CYS26:SG
4	disulfide	sing	0:CYS4:SG	1:CYS32:SG

Source organism

Helleborus purpurascens

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.9 %, Completeness (bb): 94.6 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H
All	95.9 % (235 of 245)	95.9 % (235 of 245)
Backbone	94.6 % (87 of 92)	94.6 % (87 of 92)
Sidechain	96.7 % (148 of 153)	96.7 % (148 of 153)
Aromatic	84.6 % (11 of 13)	84.6 % (11 of 13)
Methyl	94.7 % (18 of 19)	94.7 % (18 of 19)

1. Hellethionin D

KSCCRNTLAR NCYNACRFTG GSQPTCGILC DCIHVTTTTC PSSHPS

Show sample condition

Sample

Temperature 293 (±0.5) K, pH 2.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Hellethionin D			3.0 mM

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 1NBL, Strand ID: A Detail

---

Release date

2003-04-29

Citation 1

Structural characterization of hellethionins from Helleborus purpurascens
Milbradt, A.G., Kerek, F., Moroder, L., Renner, C.
Biochemistry (2003), 42, 2404-2411, PubMed 12600207 , DOI 10.1021/bi020628h , Abstract

Show more 2 citaions

Citation 2

MOLMOL: a program for display and analysis of macromolecular structures
Koradi, R., Billeter, M., Wuthrich, K.
J. Mol. Graph. (1996), 14, 51-5, 29, PubMed 8744573 , DOI: , Abstract

Citation 3

AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR
Laskowski, R.A., Rullmannn, J.A., MacArthur, M.W., Kaptein, R., Thornton, J.M.
J. Biomol. NMR (1996), 8, 477-486, PubMed 9008363 , DOI: , Abstract

Hide non-primary 2 citaions

Related entities 1. Hellethionin D, : 1 : 2 : 64 entities Detail

Experiments performed 3 experiments Detail