BMRB: 7361

SOLUTION STRUCTURE OF A LINEAR ANALOG OF THE SQUASH TRYPSIN INHIBITOR MCOTI-II, NMR, 30 STRUCTURES.

Authors

Heitz, A., Avrutina, O., Diederischen, U., Kolmar, H., Chiche, L.

Assembly

lin MCoTI

Entity

1. lin MCoTI (polymer, Thiol state: all disulfide bound), 30 monomers, 3071.651 Da Detail

GVCPKILKKC RRDSDCPGAC ICRGNGYCGX

Formula weight

3071.651 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS20:SG
2	disulfide	sing	1:CYS10:SG	1:CYS22:SG
3	disulfide	sing	1:CYS16:SG	1:CYS28:SG

Exptl. method

NMR

Refine. method

torsion angle dynamics,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 89.7 %, Completeness (bb): 79.7 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H	13C
All	89.7 % (252 of 281)	99.4 % (164 of 165)	75.9 % (88 of 116)
Backbone	79.7 % (114 of 143)	98.4 % (60 of 61)	65.9 % (54 of 82)
Sidechain	100.0 % (162 of 162)	100.0 % (104 of 104)	100.0 % (58 of 58)
Aromatic	100.0 % (8 of 8)	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	100.0 % (18 of 18)	100.0 % (9 of 9)	100.0 % (9 of 9)

1. lin MCoTI

GVCPKILKKC RRDSDCPGAC ICRGNGYCGX

Show sample condition

Sample

Pressure 1 atm, Temperature 305 (±1) K, pH 3.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	lin_MCoTI			1.2 mM

Hide sample codition

Protein Blocks Logo

Calculated from 30 models in PDB: 2IT8, Strand ID: A Detail

---

Release date

2008-02-10

Citation

KNOTTIN: the knottin or inhibitor cystine knot scaffold in 2007
Gracy, J., Le-Nguyen, D., Gelly, J., Kaas, Q., Heitz, A., Chiche, L.
Nucleic Acids Res. (2008), 36, D314-D319, PubMed 18025039 , DOI 10.1093/nar/gkm939 , Abstract

Related entities 1. lin MCoTI, : 1 : 5 : 60 entities Detail

Experiments performed 5 experiments Detail