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MolNFT v1 · #100206 · protein

Crystal structure of antigen 85C-C209S mutant

4MQL · Diacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C: “Crystal structure of antigen 85C-C209S mutant”. X-ray diffraction, 2 pockets (best druggability 0.34). MolNFT v1 #100206 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4MQL
Type
protein
Length
282 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Diacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C
EC
2.3.1.122, 2.3.1.20
UniProt
P0A4V4
Pockets
2 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADiacylglycerol ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C (EC 2.3.1.122, 2.3.1.20)protein28237% helix, 16% strandP0A4V4

Ligands and binding sites

  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · 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
1540.340.7918empty
2590.300.7515empty

Compared structures

  • 4MQL · Crystal structure of Antigen 85C-C209S mutant · the same entry in another collection · chain A against A, TM-score 1.00

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