4nwr

X-ray diffraction
3.5Å resolution

Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-28

Released:

Function and Biology Details

Reactions catalysed:
Keto-phenylpyruvate = enol-phenylpyruvate
L-dopachrome = 5,6-dihydroxyindole-2-carboxylate
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero 24-mer (preferred)
PDBe Complex ID:
PDB-CPX-109112 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Putative integron gene cassette protein Chains: 0, 2, 4, 6, 8, A, AA, AC, AE, AG, AI, AK, AM, AO, AQ, AS, AU, AW, AY, BA, BC, BE, BG, C, E, G, I, K, M, O, Q, S, U, W, Y, a, c, e, g, i, k, m, o, q, s, u, w, y
Molecule details ›
Chains: 0, 2, 4, 6, 8, A, AA, AC, AE, AG, AI, AK, AM, AO, AQ, AS, AU, AW, AY, BA, BC, BE, BG, C, E, G, I, K, M, O, Q, S, U, W, Y, a, c, e, g, i, k, m, o, q, s, u, w, y
Length: 158 amino acids
Theoretical weight: 17.79 KDa
Source organism: uncultured bacterium
Expression system: Escherichia coli
UniProt:
  • Canonical: B0BGB0 (Residues: 1-158; Coverage: 100%)
Gene name: ORF1
L-dopachrome isomerase Chains: 1, 3, 5, 7, 9, AB, AD, AF, AH, AJ, AL, AN, AP, AR, AT, AV, AX, AZ, B, BB, BD, BF, BH, D, F, H, J, L, N, P, R, T, V, X, Z, b, d, f, h, j, l, n, p, r, t, v, x, z
Molecule details ›
Chains: 1, 3, 5, 7, 9, AB, AD, AF, AH, AJ, AL, AN, AP, AR, AT, AV, AX, AZ, B, BB, BD, BF, BH, D, F, H, J, L, N, P, R, T, V, X, Z, b, d, f, h, j, l, n, p, r, t, v, x, z
Length: 121 amino acids
Theoretical weight: 13.52 KDa
Source organism: Leishmania major
Expression system: Escherichia coli
UniProt:
  • Canonical: Q4Q413 (Residues: 1-113; Coverage: 100%)
Gene names: LMJF_33_1740, MIF1
Sequence domains: Macrophage migration inhibitory factor (MIF)

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P21
Unit cell:
a: 124.91Å b: 189.25Å c: 376.83Å
α: 90° β: 90.02° γ: 90°
R-values:
R R work R free
0.265 0.262 0.298
Expression system: Escherichia coli