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Crystal structure of the clostridium histolyticum colh collagenase polycystic kidney disease-like domain 2A in the presence of calcium at 1.9 ångström resolution

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

PDB
4U7K
Type
protein
Length
688 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Colh protein
UniProt
Q46085
Ligands
CA
Pockets
5 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, HColh proteinprotein860% helix, 50% strandQ46085

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111780.800.82125empty
21740.590.8250empty
31890.570.8146empty
41710.480.7625empty
51620.430.7524empty

Interfaces

13 interfaces between chains.

  • A–D · 508 Ų buried · 5 hydrogen bonds · protein-protein
  • E–F · 503 Ų buried · 5 hydrogen bonds · protein-protein
  • G–H · 495 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 493 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 314 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 4U7K · Crystal structure of the Clostridium histolyticum colH collagenase polycystic kidney… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q46085 · AlphaFold monomer V2.0 prediction for collagenase colh (Q46085) · a predicted model of the same protein · chain D against A, TM-score 0.99

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