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Crystal structure of clostridium histolyticum colg collagenase collagen-binding domain 3B at 1.35 ångström resolution in presence of calcium

Analyse Crystal structure of clostridium histolyticum colg collagenase collagen-binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2O8O
Type
protein
Length
224 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Collagenase
EC
3.4.24.3
UniProt
Q9X721
Ligands
CA, CL
Pockets
1 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACollagenase (EC 3.4.24.3)protein1103% helix, 60% strandQ9X721
BCollagenase (EC 3.4.24.3)protein1143% helix, 61% strandQ9X721

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11220.420.7628empty

Interfaces

1 interface between chains.

  • A–B · 776 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 2O8O · Crystal structure of Clostridium histolyticum colg collagenase collagen-binding domain 3B… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X721 · AlphaFold monomer V2.0 prediction for collagenase colg (Q9X721) · a predicted model of the same protein · chain A against A, TM-score 0.97

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