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MolNFT v1 · #51245 · protein

Crystal structure of the apo form of Y74F mutant E. COLI tryptophanase

2V1P · Trypthopanase: “Crystal structure of the apo form of Y74F mutant E. COLI tryptophanase”. X-ray diffraction, 2 ligands (MG, CL), 4 pockets (best druggability 0.62). MolNFT v1 #51245 on GenesisL1: 3D structure, binding sites and…

PDB
2V1P
Type
protein
Length
467 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Trypthopanase
EC
4.1.99.1
UniProt
P0A853
Ligands
MG, CL
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATrypthopanase (EC 4.1.99.1)protein46745% helix, 14% strandP0A853

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12840.620.8030empty
23640.580.7541empty
33030.550.7539empty
41830.510.7828empty

Modifications

Observed in the structure: 2 modified (artifact).

Compared structures

  • 2V1P · Crystal Structure of the apo form of Y74F mutant E. coli tryptophanase · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A853 · AlphaFold monomer V2.0 prediction for tryptophanase (P0A853) · a predicted model of the same protein · chain A against A, TM-score 0.87

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