BMRB Entry 18238
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PDB ID: 2lp8
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18238
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Wysoczanski, Piotr; Mart, Robert; Loveridge, E. Joel; Williams, Christopher; Whittaker, Sara B-M; Crump, Matthew; Allemann, Rudolf. "NMR Solution Structure of a Photoswitchable Apoptosis Activating Bak Peptide Bound to Bcl-x(L)." J. Am. Chem. Soc. 134, 7644-7647 (2012).
PubMed: 22515821
Assembly members:
BCL-XL, polymer, 185 residues, 21455.721 Da.
PHOTOSWITCHABLE_BAK, polymer, 18 residues, 1911.213 Da.
3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}, non-polymer, 525.340 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: ESCHERICHIA COLI BL21(DE3) Vector: pET19b
Entity Sequences (FASTA):
BCL-XL: MSQSNRELVVDFLSYKLSQK
GYSWSQFSDVEENRTEAPEG
TESEAVKQALREAGDEFELR
YRRAFSDLTSQLHITPGTAY
QSFEQVVNELFRDGVNWGRI
VAFFSFGGALCVESVDKEMQ
VLVSRIAAWMATYLNDHLEP
WIQENGGWDTFVELYGNNAA
AESRKGQERLEHHHHHHLEH
HHHHH
PHOTOSWITCHABLE_BAK: XGCVGRALAAFGDCINRX
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 636 |
| 15N chemical shifts | 183 |
| 1H chemical shifts | 1131 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | BCL-XL | 1 |
| 2 | PHOTOSWITCHABLE BAK | 2 |
| 3 | 33B | 3 |
Entities:
Entity 1, BCL-XL 185 residues - 21455.721 Da.
| 1 | MET | SER | GLN | SER | ASN | ARG | GLU | LEU | VAL | VAL | ||||
| 2 | ASP | PHE | LEU | SER | TYR | LYS | LEU | SER | GLN | LYS | ||||
| 3 | GLY | TYR | SER | TRP | SER | GLN | PHE | SER | ASP | VAL | ||||
| 4 | GLU | GLU | ASN | ARG | THR | GLU | ALA | PRO | GLU | GLY | ||||
| 5 | THR | GLU | SER | GLU | ALA | VAL | LYS | GLN | ALA | LEU | ||||
| 6 | ARG | GLU | ALA | GLY | ASP | GLU | PHE | GLU | LEU | ARG | ||||
| 7 | TYR | ARG | ARG | ALA | PHE | SER | ASP | LEU | THR | SER | ||||
| 8 | GLN | LEU | HIS | ILE | THR | PRO | GLY | THR | ALA | TYR | ||||
| 9 | GLN | SER | PHE | GLU | GLN | VAL | VAL | ASN | GLU | LEU | ||||
| 10 | PHE | ARG | ASP | GLY | VAL | ASN | TRP | GLY | ARG | ILE | ||||
| 11 | VAL | ALA | PHE | PHE | SER | PHE | GLY | GLY | ALA | LEU | ||||
| 12 | CYS | VAL | GLU | SER | VAL | ASP | LYS | GLU | MET | GLN | ||||
| 13 | VAL | LEU | VAL | SER | ARG | ILE | ALA | ALA | TRP | MET | ||||
| 14 | ALA | THR | TYR | LEU | ASN | ASP | HIS | LEU | GLU | PRO | ||||
| 15 | TRP | ILE | GLN | GLU | ASN | GLY | GLY | TRP | ASP | THR | ||||
| 16 | PHE | VAL | GLU | LEU | TYR | GLY | ASN | ASN | ALA | ALA | ||||
| 17 | ALA | GLU | SER | ARG | LYS | GLY | GLN | GLU | ARG | LEU | ||||
| 18 | GLU | HIS | HIS | HIS | HIS | HIS | HIS | LEU | GLU | HIS | ||||
| 19 | HIS | HIS | HIS | HIS | HIS |
Entity 2, PHOTOSWITCHABLE BAK 18 residues - 1911.213 Da.
| 1 | ACE | GLY | CYS | VAL | GLY | ARG | ALA | LEU | ALA | ALA | ||||
| 2 | PHE | GLY | ASP | CYS | ILE | ASN | ARG | NH2 |
Entity 3, 33B - C16 H14 Cl2 N4 O8 S2 - 525.340 Da.
| 1 | 33B |
Related Database Links:
| BMRB | 18250 18792 18793 |
| PDB | 1G5J 1YSG 1YSI 1YSN 2LP8 2LPC 2M03 2M04 2O1Y 2PON 2YXJ 3PL7 3QKD 3SP7 3SPF 3WIZ 3ZK6 3ZLN 3ZLO 4EHR 4PPI 4QVE 4QVF |
| DBJ | BAE87681 |
Download HSQC peak lists in one of the following formats:
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or all simulated peaks