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MolNFT v1 · #1336 · protein

Inhibitor-free catalytic fragment of human fibroblast collagenase, NMR, 30 structures

1AYK: “Inhibitor-free catalytic fragment of human fibroblast collagenase, NMR, 30 structures”. Solution nmr, 2 ligands (ZN, CA), 2 pockets (best druggability 0.48). MolNFT v1 #1336 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1AYK
Type
protein
Length
169 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Collagenase
EC
3.4.24.7
UniProt
P03956
Ligands
ZN, CA
Pockets
2 · best druggability 0.48

Structure

solution nmr · 1 distinct chain · 23% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACollagenase (EC 3.4.24.7)protein16923% helix, 15% strandP03956

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11480.480.7818empty
2740.340.7615empty

Compared structures

  • 1AYK · Inhibitor-free catalytic fragment of human fibroblast collagenase, NMR, 30 structures · 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 0.88

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