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Crystal structure of fibroblast collagenase-1 complexed to a diphenyl- ether sulphone based hydroxamic acid

Analyse Crystal structure of fibroblast collagenase-1 complexed to a diphenyl- ether… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
966C
Type
protein
Length
157 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mmp-1
EC
3.4.24.-
UniProt
P03956
Ligands
RS2, CA, ZN
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMmp-1 (EC 3.4.24.-)protein15725% helix, 16% strandP03956

Ligands and binding sites

  • RS2 · N-hydroxy-2-[4-(4-phenoxy-benzenesulfonyl)-tetrahydro-pyran-4-yl]-acetamide · ligand · chains A
  • CA · Calcium ion · metal · 3 copies · chains A
  • ZN · Zinc ion · metal · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11660.570.8225ZN, RS2

Compared structures

  • 966C · Crystal structure of fibroblast collagenase-1 complexed to a diphenyl-ether sulphone… · the same entry in another collection · chain A against A, TM-score 1.00
  • P03956 · AlphaFold monomer V2.0 prediction for interstitial collagenase (P03956) · a predicted model of the same protein · chain A against A, TM-score 0.99

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