› 4fl4

X-ray diffraction
2.8Å resolution

Scaffoldin conformation and dynamics revealed by a ternary complex from the Clostridium thermocellum cellulosome

Released:
DOI: 10.2210/pdb4fl4/pdb
PDB entry 4fl4 coloured by chain, front view.
PDB entry 4fl4 coloured by chain, side view.
PDB entry 4fl4 coloured by chain, top view.
Source organism: Acetivibrio thermocellus
Primary publication:
Scaffoldin conformation and dynamics revealed by a ternary complex from the Clostridium thermocellum cellulosome.
Currie MA, Adams JJ, Faucher F, Bayer EA, Jia Z, Smith SP
J Biol Chem 287 26953-61 (2012)
PMID: 22707718

Function and Biology Details

Reaction catalysed: 
Endohydrolysis of (1->4)-beta-D-glucosidic linkages in cellulose, lichenin and cereal beta-D-glucans
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-107046 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Endoglucanase D Chains: A, D, G, J
Molecule details ›
Chains: A, D, G, J
Length: 88 amino acids
Theoretical weight: 9.95 KDa
Source organism: Acetivibrio thermocellus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A3DDN1 (Residues: 584-649; Coverage: 11%)
Gene names: Cthe_0825, celD
Sequence domains: Dockerin type I domain
Structure domains: Dockerin domain
Scaffolding dockerin binding protein A Chains: B, E, H, K
Molecule details ›
Chains: B, E, H, K
Length: 187 amino acids
Theoretical weight: 20.55 KDa
Source organism: Acetivibrio thermocellus
Expression system: Escherichia coli
UniProt:
  • Canonical: P71143 (Residues: 27-200; Coverage: 28%)
Gene name: sdbA
Sequence domains: Cohesin domain
Structure domains: Immunoglobulin-like
Dockerin domain-containing protein Chains: C, F, I, L
Molecule details ›
Chains: C, F, I, L
Length: 321 amino acids
Theoretical weight: 34.66 KDa
Source organism: Acetivibrio thermocellus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q46453 (Residues: 327-638; Coverage: 49%)
Gene name: cipA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CA 16 x CA
Ligand SO4 58 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 119.374Å b: 186.305Å c: 191.165Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.191 0.236
Expression systems:
  • Escherichia coli BL21
  • Escherichia coli

Quick links

Citations

5 review citations

Enhanced sampling techniques in molecular dynamics simulations of biological systems.
Bernardi et al. (2015)
4 more

4 mentions without citation

Atypical cohesin-dockerin complex responsible for cell surface attachment of cellulosomal components: binding fidelity, promiscuity, and structural buttresses.
Salama-Alber et al. (2013)
3 more