BMRB Entry 11451

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PDB ID: 2rs4
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR11451
MolProbity Validation Chart

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Title:
NMR strucure of stereo-array isotope labelled (SAIL) peptidyl-prolyl cis-trans isomerase from E. coli (EPPIb)
Deposition date:
2011-07-16
Original release date:
2015-06-26
Authors:
Takeda, Mitsuhiro; Jee, JunGoo; Ono, Akira; Okuma, Kosuke; Terauchi, Tsutomu; Kainosho, Masatsune
Citation:

Citation: Takeda, Mitsuhiro; Jee, JunGoo; Ono, Akira; Terauchi, Tsutomu; Kainosho, Masatsune. "Hydrogen exchange study on the hydroxyl groups of serine and threonine residues in proteins and structure refinement using NOE restraints with polar side-chain groups"  J. Am. Chem. Soc. 133, 17420-17427 (2011).
PubMed: 21955241

Assembly members:

Assembly members:
entity, polymer, 164 residues, 18174.578 Da.

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: cell free synthesis   Host organism: Escherichia coli   Vector: pET3a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: MVTFHTNHGDIVIKTFDDKA PETVKNFLDYCREGFYNNTI FHRVINGFMIQGGGFEPGMK QKATKEPIKNEANNGLKNTR GTLAMARTQAPHSATAQFFI NVVDNDFLNFSGESLQGWGY CVFAEVVDGMDVVDKIKGVA TGRSGMHQDVPKEDVIIESV TVSE

Data sets:
Data typeCount
13C chemical shifts497
15N chemical shifts173
1H chemical shifts858

Additional metadata:

  • Assembly
  • Samples and Experiments
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Assembly:

Entity Assembly IDEntity NameEntity ID
1peptidyl-prolyl cis-trans isomerase1

Entities:

Entity 1, peptidyl-prolyl cis-trans isomerase 164 residues - 18174.578 Da.

1   METVALTHRPHEHISTHRASNHISGLYASP
2   ILEVALILELYSTHRPHEASPASPLYSALA
3   PROGLUTHRVALLYSASNPHELEUASPTYR
4   CYSARGGLUGLYPHETYRASNASNTHRILE
5   PHEHISARGVALILEASNGLYPHEMETILE
6   GLNGLYGLYGLYPHEGLUPROGLYMETLYS
7   GLNLYSALATHRLYSGLUPROILELYSASN
8   GLUALAASNASNGLYLEULYSASNTHRARG
9   GLYTHRLEUALAMETALAARGTHRGLNALA
10   PROHISSERALATHRALAGLNPHEPHEILE
11   ASNVALVALASPASNASPPHELEUASNPHE
12   SERGLYGLUSERLEUGLNGLYTRPGLYTYR
13   CYSVALPHEALAGLUVALVALASPGLYMET
14   ASPVALVALASPLYSILELYSGLYVALALA
15   THRGLYARGSERGLYMETHISGLNASPVAL
16   PROLYSGLUASPVALILEILEGLUSERVAL
17   THRVALSERGLU

Related Database Links:

PDB 1LOP 2NUL 2RS4
DBJ BAB34010 BAE76302 BAG76074 BAI23892 BAI29364
EMBL CAD05020 CAP75055 CAQ30997 CAQ88114 CAQ97399
GB AAA23453 AAC73627 AAG54882 AAL19490 AAN42110
PIR AB0569
REF NP_308614 NP_415058 NP_455128 NP_459531 NP_706403
SP P23869
AlphaFold P23869

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SPARKY: Backbone or all simulated peaks