BMRB Entry 52274

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52274

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Title:
Adalimumab Fab
Deposition date:
2024-01-22
Original release date:
2024-04-30
Authors:
Sarker, Muzaddid
Citation:

Citation: Sarker, Muzaddid; Aubin, Yves. "Backbone and methyl side-chain resonance assignments of the Fab fragment of adalimumab"  Biomol. NMR Assign. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 214 residues, Formula weight is not available
entity_2, polymer, 228 residues, Formula weight is not available

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: pET15b10

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DIQMTQSPSSLSASVGDRVT ITCRASQGIRNYLAWYQQKP GKAPKLLIYAASTLQSGVPS RFSGSGSGTDFTLTISSLQP EDVATYYCQRYNRAPYTFGQ GTKVEIKRTVAAPSVFIFPP SDEQLKSGTASVVCLLNNFY PREAKVQWKVDNALQSGNSQ ESVTEQDSKDSTYSLSSTLT LSKADYEKHKVYACEVTHQG LSSPVTKSFNRGEC
entity_2: EVQLVESGGGLVQPGRSLRL SCAASGFTFDDYAMHWVRQA PGKGLEWVSAITWNSGHIDY ADSVEGRFTISRDNAKNSLY LQMNSLRAEDTAVYYCAKVS YLSTASSLDYWGQGTLVTVS SASTKGPSVFPLAPSSKSTS GGTAALGCLVKDYFPEPVTV SWNSGALTSGVHTFPAVLQS SGLYSLSSVVTVPSSSLGTQ TYICNVNHKPSNTKVDKKVE PKSCDKTH

Data sets:
Data typeCount
13C chemical shifts1321
15N chemical shifts381
1H chemical shifts774

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Light Chain1
2Heavy Chain2

Entities:

Entity 1, Light Chain 214 residues - Formula weight is not available

1   ASPILEGLNMETTHRGLNSERPROSERSER
2   LEUSERALASERVALGLYASPARGVALTHR
3   ILETHRCYSARGALASERGLNGLYILEARG
4   ASNTYRLEUALATRPTYRGLNGLNLYSPRO
5   GLYLYSALAPROLYSLEULEUILETYRALA
6   ALASERTHRLEUGLNSERGLYVALPROSER
7   ARGPHESERGLYSERGLYSERGLYTHRASP
8   PHETHRLEUTHRILESERSERLEUGLNPRO
9   GLUASPVALALATHRTYRTYRCYSGLNARG
10   TYRASNARGALAPROTYRTHRPHEGLYGLN
11   GLYTHRLYSVALGLUILELYSARGTHRVAL
12   ALAALAPROSERVALPHEILEPHEPROPRO
13   SERASPGLUGLNLEULYSSERGLYTHRALA
14   SERVALVALCYSLEULEUASNASNPHETYR
15   PROARGGLUALALYSVALGLNTRPLYSVAL
16   ASPASNALALEUGLNSERGLYASNSERGLN
17   GLUSERVALTHRGLUGLNASPSERLYSASP
18   SERTHRTYRSERLEUSERSERTHRLEUTHR
19   LEUSERLYSALAASPTYRGLULYSHISLYS
20   VALTYRALACYSGLUVALTHRHISGLNGLY
21   LEUSERSERPROVALTHRLYSSERPHEASN
22   ARGGLYGLUCYS

Entity 2, Heavy Chain 228 residues - Formula weight is not available

1   GLUVALGLNLEUVALGLUSERGLYGLYGLY
2   LEUVALGLNPROGLYARGSERLEUARGLEU
3   SERCYSALAALASERGLYPHETHRPHEASP
4   ASPTYRALAMETHISTRPVALARGGLNALA
5   PROGLYLYSGLYLEUGLUTRPVALSERALA
6   ILETHRTRPASNSERGLYHISILEASPTYR
7   ALAASPSERVALGLUGLYARGPHETHRILE
8   SERARGASPASNALALYSASNSERLEUTYR
9   LEUGLNMETASNSERLEUARGALAGLUASP
10   THRALAVALTYRTYRCYSALALYSVALSER
11   TYRLEUSERTHRALASERSERLEUASPTYR
12   TRPGLYGLNGLYTHRLEUVALTHRVALSER
13   SERALASERTHRLYSGLYPROSERVALPHE
14   PROLEUALAPROSERSERLYSSERTHRSER
15   GLYGLYTHRALAALALEUGLYCYSLEUVAL
16   LYSASPTYRPHEPROGLUPROVALTHRVAL
17   SERTRPASNSERGLYALALEUTHRSERGLY
18   VALHISTHRPHEPROALAVALLEUGLNSER
19   SERGLYLEUTYRSERLEUSERSERVALVAL
20   THRVALPROSERSERSERLEUGLYTHRGLN
21   THRTYRILECYSASNVALASNHISLYSPRO
22   SERASNTHRLYSVALASPLYSLYSVALGLU
23   PROLYSSERCYSASPLYSTHRHIS

Samples:

sample_1: Adalimumab Fab, [U-100% 13C; U-100% 15N; U-80% 2H], 145 uM; Adalimumab Fab, [U-100% 13C; U-100% 15N; U-80% 2H], 145 uM; sodium acetate, [U-99% 2H], 20 mM

sample_2: Adalimumab Fab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 400 uM; Adalimumab Fab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 400 uM; sodium acetate, [U-99% 2H], 20 mM

sample_3: Adalimumab Fab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 30 uM; Adalimumab Fab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 30 uM; sodium acetate, [U-99% 2H], 20 mM; DSS, [U-2H], 40 uM

sample_conditions_1: ionic strength: 0 M; pH: 5; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_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
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D ccctocsy_nnhsample_2isotropicsample_conditions_1
3D hcctocsy_nnhsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_3isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1

Software:

TOPSPIN v3.5 - collection

NMRPipe - processing

POKY - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 700 MHz
  • Bruker AVANCE NEO 600 MHz

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