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MolNFT v1 · #21795 · protein

Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited with the N-carboxy-alkyl inhibitor L-702,842

1SLN: “Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited with the…”. X-ray diffraction, 3 ligands (8MI, CA, ZN), 1 pocket (best druggability 0.57). MolNFT v1 #21795 on GenesisL1: 3D structure, binding…

PDB
1SLN
Type
protein
Length
168 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Stromelysin-1
EC
3.4.24.17
UniProt
P08254
Ligands
8MI, CA, ZN
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 23% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStromelysin-1 (EC 3.4.24.17)protein16823% helix, 17% strandP08254

Ligands and binding sites

  • 8MI · N-(R-carboxy-ethyl)-alpha-(S)-(2-phenylethyl)glycyl-L-arginine-N-phenylamide · 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
12020.570.80318MI

Compared structures

  • 1SLN · Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited… · the same entry in another collection · chain A against A, TM-score 1.00
  • P08254 · AlphaFold monomer V2.0 prediction for stromelysin-1 (P08254) · a predicted model of the same protein · chain A against A, TM-score 0.98

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