BMRB: 16152

NMR assignment of jerdostatin mutant R24K from Trimeresurus jerdonii, with deletion of two residues (N45 G46) from the end C-terminal

Authors

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

Assembly

jerdostatin R24K -N45G46 polypeptide

Entity

1. jerdostatin R24K -N45G46 polypeptide (polymer, Thiol state: all disulfide bound), 44 monomers, 4706.386 Da Detail

AMDCTTGPCC RQCKLKPAGT TCWKTSVSSH YCTGRSCECP SYPG

Formula weight

4706.386 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: 86.1 %, Completeness (bb): 81.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.1 % (396 of 460)	98.7 % (236 of 239)	66.5 % (119 of 179)	97.6 % (41 of 42)
Backbone	81.6 % (209 of 256)	98.9 % (87 of 88)	64.8 % (83 of 128)	97.5 % (39 of 40)
Sidechain	92.2 % (225 of 244)	98.7 % (149 of 151)	81.3 % (74 of 91)	100.0 % (2 of 2)
Aromatic	53.1 % (17 of 32)	100.0 % (16 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 R24K -N45G46

AMDCTTGPCC RQCKLKPAGT TCWKTSVSSH 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 R24K -N45G46	[U-100% 15N]		0.5 mM

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Protein Blocks Logo

Calculated from 40 models in PDB: 2W9W, Strand ID: A Detail

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Release date

2012-08-06

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 R24K -N45G46 polypeptide, : 1 : 1 : 2 : 215 entities Detail

Experiments performed 4 experiments Detail