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Crystal structure of the peptidase domain of collagenase T from clostridium tetani at 1.69 ångström resolution.

Analyse Crystal structure of the peptidase domain of collagenase T from clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AR9
Type
protein
Length
784 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Collagenase colt
EC
3.4.24.3
UniProt
Q899Y1
Ligands
ZN, CA
Pockets
7 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCollagenase colt (EC 3.4.24.3)protein39249% helix, 17% strandQ899Y1

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111710.770.7994empty
22380.610.8129empty
31650.600.8327empty
42610.560.7733empty
5800.540.8524empty

Interfaces

1 interface between chains.

  • A–B · 406 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 4AR9 · Crystal structure of the peptidase domain of collagenase T from Clostridium tetani at… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q899Y1 · AlphaFold monomer V2.0 prediction for collagenase colt (Q899Y1) · a predicted model of the same protein · chain A against A, TM-score 1.00

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