› 4twt

X-ray diffraction
2.85Å resolution

Human TNFa dimer in complex with the semi-synthetic bicyclic peptide M21

Released:
DOI: 10.2210/pdb4twt/pdb
PDB entry 4twt coloured by chain, front view.
PDB entry 4twt coloured by chain, side view.
PDB entry 4twt coloured by chain, top view.
Source organisms:
Primary publication:
Subunit disassembly and inhibition of TNFα by a semi-synthetic bicyclic peptide.
Luzi S, Kondo Y, Bernard E, Stadler LK, Vaysburd M, Winter G, Holliger P
Protein Eng Des Sel 28 45-52 (2015)
PMID: 25614525

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-134284 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Tumor necrosis factor, soluble form Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 157 amino acids
Theoretical weight: 17.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01375 (Residues: 77-233; Coverage: 67%)
Gene names: TNF, TNFA, TNFSF2
Sequence domains: TNF(Tumour Necrosis Factor) family
Structure domains: Jelly Rolls
ALA-CYS-PRO-PRO-CYS-LEU-TRP-GLN-VAL-LEU-CYS-GLY Chains: E, F
Molecule details ›
Chains: E, F
Length: 12 amino acids
Theoretical weight: 1.29 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand GOL 6 x GOL
Ligand 38A 2 x 38A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P3221
Unit cell:
a: 78.444Å b: 78.444Å c: 230.375Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.229 0.226 0.286
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Advances in phage display technology for drug discovery.
Omidfar et al. (2015)
2 more

11 mentions without citation

Cyclisation strategies for stabilising peptides with irregular conformations.
Vu et al. (2021)
10 more