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MolNFT v1 · #165210 · protein

Carboxypeptidase T with N-sulfamoyl-L-valine

6TNK: “Carboxypeptidase T with N-sulfamoyl-L-valine”. X-ray diffraction, 3 ligands (NO5, CA, ZN), 1 pocket (best druggability 0.57). MolNFT v1 #165210 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TNK
Type
protein
Length
323 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Carboxypeptidase T
EC
3.4.17.18
UniProt
P29068
Ligands
NO5, CA, ZN
Pockets
1 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACarboxypeptidase T (EC 3.4.17.18)protein32336% helix, 17% strandP29068

Ligands and binding sites

  • NO5 · (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid · ligand · chains A
  • CA · Calcium ion · metal · 5 copies · chains A
  • ZN · Zinc ion · metal · 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
1890.570.8722NO5

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6TNK · Carboxypeptidase T with N-sulfamoyl-L-valine · the same entry in another collection · chain A against A, TM-score 1.00
  • P29068 · AlphaFold monomer V2.0 prediction for carboxypeptidase T (P29068) · a predicted model of the same protein · chain A against A, TM-score 1.00

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