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MolNFT v1 · #3074 · protein

Crystal structures of recombinant 19-kda human fibroblast collagenase complexed to itself

1CGF: “Crystal structures of recombinant 19-kda human fibroblast collagenase complexed to itself”. X-ray diffraction, 2 ligands (CA, ZN), 4 pockets (best druggability 0.56). MolNFT v1 #3074 on GenesisL1: 3D structure, binding sites and…

PDB
1CGF
Type
protein
Length
324 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibroblast collagenase
EC
3.4.24.7
UniProt
P03956
Ligands
CA, ZN
Pockets
4 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BFibroblast collagenase (EC 3.4.24.7)protein16223% helix, 15% strandP03956

Ligands and binding sites

  • CA · Calcium ion · metal · 6 copies · chains A, B
  • ZN · Zinc ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13150.560.7639empty
2690.390.7918ZN
3660.380.7917empty
4590.340.7716empty

Interfaces

1 interface between chains.

  • A–B · 231 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 1CGF · Crystal structures of recombinant 19-kda human fibroblast collagenase complexed to itself · 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 0.98

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