SMTL ID : 5c2n.1 (2 other biounits)

The de novo evolutionary emergence of a symmetrical protein is shaped by folding constraints

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.65 Å

Oligo State

homo-pentamer

Ligands

5 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)

NAG.1: 12 residues within 4Å: Chain A: F.4, D.32, N.33, D.34, N.35, W.36, L.37 Chain B: G.44, N.45, G.46, G.47, W.48 8 PLIP interactions: 4 interactions with chain B, 4 interactions with chain A Hydrophobic interactions: B:W.48, A:F.4 Hydrogen bonds: B:N.45, B:G.46, B:W.48, A:N.33, A:W.36, A:L.37 NAG.2: 12 residues within 4Å: Chain B: F.4, D.32, N.33, D.34, N.35, W.36, L.37 Chain D: G.44, N.45, G.46, G.47, W.48 10 PLIP interactions: 5 interactions with chain D, 5 interactions with chain B Hydrophobic interactions: D:W.48, B:F.4 Hydrogen bonds: D:N.45, D:G.46, D:G.46, D:W.48, B:N.33, B:W.36, B:L.37 Water bridges: B:N.35 NAG.3: 11 residues within 4Å: Chain C: G.44, N.45, G.46, G.47, W.48 Chain D: F.4, D.32, D.34, N.35, W.36, L.37 9 PLIP interactions: 6 interactions with chain C, 3 interactions with chain D Hydrophobic interactions: C:W.48, D:F.4 Hydrogen bonds: C:N.45, C:G.46, C:W.48, D:W.36, D:L.37 Water bridges: C:N.45, C:G.46 NAG.4: 12 residues within 4Å: Chain C: F.4, D.32, N.33, D.34, N.35, W.36, L.37 Chain E: G.44, N.45, G.46, G.47, W.48 8 PLIP interactions: 4 interactions with chain C, 4 interactions with chain E Hydrophobic interactions: C:F.4, E:W.48 Hydrogen bonds: C:N.33, C:W.36, C:L.37, E:N.45, E:G.46, E:W.48 NAG.5: 12 residues within 4Å: Chain A: G.44, N.45, G.46, G.47, W.48 Chain E: F.4, D.32, N.33, D.34, N.35, W.36, L.37 9 PLIP interactions: 6 interactions with chain A, 3 interactions with chain E Hydrophobic interactions: A:W.48, E:F.4 Hydrogen bonds: A:N.45, A:G.46, A:G.46, A:W.48, E:W.36, E:L.37 Water bridges: A:N.45

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Smock, R.G. et al., De Novo Evolutionary Emergence of a Symmetrical Protein Is Shaped by Folding Constraints. Cell (2016)

Release Date

2016-01-20

Peptides

Beta propeller: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
B

B
D

C
F

D
H

E
J

Beta propeller

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