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MolNFT v1 · #119741 · protein

Crystal structure of the COHSCAC2-xdoccipa type II complex from clostridium thermocellum

5G5D · Cellulosome anchoring protein cohesin region: “Crystal structure of the COHSCAC2-xdoccipa type II complex from clostridium thermocellum”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.53). MolNFT v1 #119741 on…

PDB
5G5D
Type
protein
Length
316 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellulosome anchoring protein cohesin region; Cellulosomal-scaffolding protein a
UniProt
A0A0U3TQ90, Q06851
Ligands
CA
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 12% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACellulosome anchoring protein cohesin regionprotein1606% helix, 39% strandA0A0U3TQ90
BCellulosomal-scaffolding protein aprotein15619% helix, 36% strandQ06851

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11260.530.8123empty

Interfaces

1 interface between chains.

  • A–B · 873 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5G5D · Crystal Structure of the CohScaC2-XDocCipA type II complex from Clostridium thermocellum · the same entry in another collection · chain A against A, TM-score 1.00
  • Q06851 · AlphaFold monomer V2.0 prediction for cellulosomal-scaffolding protein a (Q06851) · a predicted model of the same protein · chain B against A, TM-score 0.99

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