BMRB: 16151

NMR assignment of jerdostatin from Trimeresurus jerdonii, with deletion of two residues (N45 G46) from the C-terminal end

Authors

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

Assembly

jerdostatin -N45G46 polypeptide

Entity

1. jerdostatin -N45G46 polypeptide (polymer, Thiol state: all disulfide bound), 44 monomers, 4734.400 Da Detail

AMDCTTGPCC RQCKLKPAGT TCWRTSVSSH YCTGRSCECP SYPG

Formula weight

4734.4 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: 100.0 %, Completeness: 84.5 %, Completeness (bb): 80.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	84.5 % (387 of 458)	97.5 % (232 of 238)	64.0 % (114 of 178)	97.6 % (41 of 42)
Backbone	80.5 % (206 of 256)	98.9 % (87 of 88)	62.5 % (80 of 128)	97.5 % (39 of 40)
Sidechain	90.1 % (218 of 242)	96.7 % (145 of 150)	78.9 % (71 of 90)	100.0 % (2 of 2)
Aromatic	50.0 % (16 of 32)	93.8 % (15 of 16)	0.0 % (0 of 15)	100.0 % (1 of 1)
Methyl	100.0 % (24 of 24)	100.0 % (12 of 12)	100.0 % (12 of 12)

1. jerdostatin -N45G46

AMDCTTGPCC RQCKLKPAGT TCWRTSVSSH YCTGRSCECP SYPG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 300 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	jerdostatin -N45G46	[U-100% 15N]		0.5 mM
2	D2O	natural abundance		10 %
3	H2O	natural abundance		90 %

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Protein Blocks Logo

Calculated from 44 models in PDB: 2W9V, Strand ID: A Detail

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Release date

2015-07-23

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 -N45G46 polypeptide, : 1 : 1 : 2 : 2 : 215 entities Detail

Experiments performed 4 experiments Detail