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MolNFT v1 · #144723 · protein

Human triosephosphate isomerase mutant V231M

6C2G: “Human triosephosphate isomerase mutant V231M”. X-ray diffraction, 9 pockets (best druggability 0.74). MolNFT v1 #144723 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6C2G
Type
protein
Length
972 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Triosephosphate isomerase
EC
5.3.1.1
UniProt
P60174
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTriosephosphate isomerase (EC 5.3.1.1)protein24445% helix, 16% strandP60174
CTriosephosphate isomerase (EC 5.3.1.1)protein24345% helix, 16% strandP60174
DTriosephosphate isomerase (EC 5.3.1.1)protein24142% helix, 17% strandP60174

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18300.740.7874empty
2560.670.9616empty
31460.490.7820empty
4880.390.7718empty
5940.380.7621empty

Interfaces

3 interfaces between chains.

  • B–D · 1775 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 431 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 222 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6C2G · Human triosephosphate isomerase mutant V231M · the same entry in another collection · chain A against A, TM-score 1.00
  • P60174 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (P60174) · a predicted model of the same protein · chain C against A, TM-score 0.98

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