BMRB: 16136

NMR assignment of jerdostatin from Trimeresurus jerdonii

Authors

Carbajo, R.J., Sanz, L., Mosulen, S., Calvete, J., Pineda-Lucena, A.

Assembly

jerdostatin polypeptide

Entity

1. jerdostatin polypeptide (polymer, Thiol state: all disulfide bound), 46 monomers, 4905.555 Da Detail

AMDCTTGPCC RQCKLKPAGT TCWRTSVSSH YCTGRSCECP SYPGNG

Formula weight

4905.555 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS13:SG
2	disulfide	sing	1:CYS9:SG	1:CYS32:SG
3	disulfide	sing	1:CYS10:SG	1:CYS37:SG
4	disulfide	sing	1:CYS22:SG	1:CYS39:SG

Source organism

Protobothrops jerdonii

Exptl. method

solution NMR

Refine. method

CNS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.7 %, Completeness: 78.5 %, Completeness (bb): 73.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	78.5 % (373 of 475)	91.9 % (227 of 247)	56.8 % (104 of 183)	93.3 % (42 of 45)
Backbone	73.5 % (197 of 268)	93.5 % (87 of 93)	53.4 % (71 of 133)	92.9 % (39 of 42)
Sidechain	83.9 % (208 of 248)	90.9 % (140 of 154)	71.4 % (65 of 91)	100.0 % (3 of 3)
Aromatic	50.0 % (16 of 32)	93.8 % (15 of 16)	0.0 % (0 of 15)	100.0 % (1 of 1)
Methyl	91.7 % (22 of 24)	91.7 % (11 of 12)	91.7 % (11 of 12)

1. jerdostatin

AMDCTTGPCC RQCKLKPAGT TCWRTSVSSH YCTGRSCECP SYPGNG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	jerdostatin	[U-100% 15N]		0.5 mM

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Protein Blocks Logo

Calculated from 40 models in PDB: 2W9O, Strand ID: A Detail

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Release date

2009-01-26

Citation

NMR structure and dynamics of recombinant wild type and mutated jerdostatin, a selective inhibitor of integrin α1β1
Carbajo, R.J., Sanz, L., Mosulen, S., Perez, A., Marcinkiewicz, C., Pineda-Lucena, A., Calvete, J.J.
Proteins (2011), 79, 2530-2542, PubMed 21656569 , DOI 10.1002/prot.23076 , Abstract

Related entities 1. jerdostatin polypeptide, : 1 : 1 : 3 : 206 entities Detail

Experiments performed 4 experiments Detail