BMRB Entry 52489

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52489

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Title:
Backbone chemical-shift assignments of human AK1 with Ap5A in MES buffer at pH5.5
Deposition date:
2024-06-03
Original release date:
2025-11-20
Authors:
Wolf-Watz, Magnus; Mushtaq, Ameeq Ul
Citation:

Citation: Mattsson, Jonna; Phoeurk, Chanrith; Schierholz, Leon; Mushtaq, Ameeq Ul; Rodriguez Buitrago, Jhon Alexander; Rogne, Per; Sauer-Eriksson, A Elisabeth; Wolf-Watz, Magnus. "Exploring Helical Fraying Linked to Dynamics and Catalysis in Adenylate Kinase"  Biochemistry 64, 4281-4295 (2025).
PubMed: 41042980

Assembly members:

Assembly members:
entity_1, polymer, 194 residues, Formula weight is not available
entity_AP5, non-polymer, 916.367 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: pET24d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MEEKLKKTKIIFVVGGPGSG KGTQCEKIVQKYGYTHLSTG DLLRSEVSSGSARGKKLSEI MEKGQLVPLETVLDMLRDAM VAKVNTSKGFLIDGYPREVQ QGEEFERRIGQPTLLLYVDA GPETMTQRLLKRGETSGRVD DNEETIKKRLETYYKATEPV IAFYEKRGIVRKVNAEGSVD SVFSQVCTHLDALK

Data sets:
Data typeCount
13C chemical shifts605
15N chemical shifts164
1H chemical shifts642

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Human AK11
2Ap5A2

Entities:

Entity 1, Human AK1 194 residues - Formula weight is not available

1   METGLUGLULYSLEULYSLYSTHRLYSILE
2   ILEPHEVALVALGLYGLYPROGLYSERGLY
3   LYSGLYTHRGLNCYSGLULYSILEVALGLN
4   LYSTYRGLYTYRTHRHISLEUSERTHRGLY
5   ASPLEULEUARGSERGLUVALSERSERGLY
6   SERALAARGGLYLYSLYSLEUSERGLUILE
7   METGLULYSGLYGLNLEUVALPROLEUGLU
8   THRVALLEUASPMETLEUARGASPALAMET
9   VALALALYSVALASNTHRSERLYSGLYPHE
10   LEUILEASPGLYTYRPROARGGLUVALGLN
11   GLNGLYGLUGLUPHEGLUARGARGILEGLY
12   GLNPROTHRLEULEULEUTYRVALASPALA
13   GLYPROGLUTHRMETTHRGLNARGLEULEU
14   LYSARGGLYGLUTHRSERGLYARGVALASP
15   ASPASNGLUGLUTHRILELYSLYSARGLEU
16   GLUTHRTYRTYRLYSALATHRGLUPROVAL
17   ILEALAPHETYRGLULYSARGGLYILEVAL
18   ARGLYSVALASNALAGLUGLYSERVALASP
19   SERVALPHESERGLNVALCYSTHRHISLEU
20   ASPALALEULYS

Entity 2, Ap5A - C20 H29 N10 O22 P5 - 916.367 Da.

1   AP5

Samples:

sample_1: Human AK1, [U-99% 13C; U-99% 15N], 0.8 mM; Ap5A 2.4 mM; MES 30 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN v3.5 - collection

NMRPipe - processing

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