BMRB Entry 52912

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52912

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Title:
Backbone and sidechain ILV-methyl group chemical shift assignments for anticalin D6.2 bound to colchicine
Deposition date:
2025-02-15
Original release date:
2025-11-25
Authors:
Bostock, Mark; Jerschke, Elena; Sattler, Michael
Citation:

Citation: Bostock, Mark; Kolloff, Christopher; Jerschke, Elena; Asami, Sam; Skerra, Arne; Olsson, Simon; Sattler, Michael. "Conformational Quenching in an Engineered Lipocalin Protein Achieves High Affinity Binding to the Toxin Colchicine"  Angew. Chem. Int. Ed. Engl. ., e202515950-e202515950 (2025).
PubMed: 41144873

Assembly members:

Assembly members:
entity_1, polymer, 186 residues, 21336.22 Da.
entity_LOC, non-polymer, 399.437 Da.

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pASK75-T7RBS2

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: QDSTSDLIPAPPLSKVPLQQ NFQDNQFHGKWYVVGVAGNG FLREDKDPIKMAATIYELKE DKSYNVTFMKFPMKKCQYMT DTLVPGSQPGEFTLGNIKSE PGYTSWLVRVVSTNYNQHAM VFFKAVQQNREDFFITLYGR TKELTSELKENFIRFSKSLG LPENHIVFPVPIDQCIDGSA HHHHHH

Data sets:
Data typeCount
13C chemical shifts452
15N chemical shifts129
1H chemical shifts279

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Anticalin D6.21
2colchicine2

Entities:

Entity 1, Anticalin D6.2 186 residues - 21336.22 Da.

1   GLNASPSERTHRSERASPLEUILEPROALA
2   PROPROLEUSERLYSVALPROLEUGLNGLN
3   ASNPHEGLNASPASNGLNPHEHISGLYLYS
4   TRPTYRVALVALGLYVALALAGLYASNGLY
5   PHELEUARGGLUASPLYSASPPROILELYS
6   METALAALATHRILETYRGLULEULYSGLU
7   ASPLYSSERTYRASNVALTHRPHEMETLYS
8   PHEPROMETLYSLYSCYSGLNTYRMETTHR
9   ASPTHRLEUVALPROGLYSERGLNPROGLY
10   GLUPHETHRLEUGLYASNILELYSSERGLU
11   PROGLYTYRTHRSERTRPLEUVALARGVAL
12   VALSERTHRASNTYRASNGLNHISALAMET
13   VALPHEPHELYSALAVALGLNGLNASNARG
14   GLUASPPHEPHEILETHRLEUTYRGLYARG
15   THRLYSGLULEUTHRSERGLULEULYSGLU
16   ASNPHEILEARGPHESERLYSSERLEUGLY
17   LEUPROGLUASNHISILEVALPHEPROVAL
18   PROILEASPGLNCYSILEASPGLYSERALA
19   HISHISHISHISHISHIS

Entity 2, colchicine - C22 H25 N O6 - 399.437 Da.

1   LOC

Samples:

sample_1: Anticalin D6.2, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 10 mM; sodium chloride 150 mM; EDTA 0.2 mM; Colchicine 1 mM

sample_2: Anticalin D6.2, [U-2H; U-100% 15N; 99% 1HD-13CD-Ile,Leu; 99% 1HG-13CG-Val], 1 mM; sodium phosphate 10 mM; sodium chloride 150 mM; EDTA 0.2 mM; Colchicine 1 mM

sample_conditions_1: pH: 6.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
2D 1H-13C HMQCsample_2isotropicsample_conditions_1

Software:

AZARA v2.8 - processing

Cambridge CS v2.8 - processing

TOPSPIN v3.5 pl7 - collection

CcpNMR v2.4 - data analysis

NMR spectrometers:

  • Bruker AVANCE III 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks