GL1X · GenesisL1 explorer

MolNFT v1 · #63833 · protein

Crystal structure of mend from E.COLI

3FLM · 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1…: “Crystal structure of mend from E.COLI”. X-ray diffraction, 10 pockets (best druggability 0.73). MolNFT v1 #63833 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3FLM
Type
protein
Length
1,066 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1- carboxylate synthase
EC
2.2.1.9
UniProt
P17109
Pockets
10 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1- carboxylate synthase (EC 2.2.1.9)protein53542% helix, 16% strandP17109
B2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1- carboxylate synthase (EC 2.2.1.9)protein53140% helix, 16% strandP17109

Pockets

10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17350.730.7993empty
24550.720.8359empty
35990.680.7764empty
43720.670.8049empty
51990.520.7724empty

Interfaces

1 interface between chains.

  • A–B · 2622 Ų buried · 45 hydrogen bonds · protein-protein

Compared structures

  • 3FLM · Crystal structure of menD from E.coli · the same entry in another collection · chain A against A, TM-score 1.00
  • P17109 · AlphaFold monomer V2.0 prediction for 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-c… · a predicted model of the same protein · chain B against A, TM-score 0.99

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