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MolNFT v1 · #139071 · protein

Structure of human SHMT2 protein mutant

5X3V · Serine hydroxymethyltransferase, mitochondrial: “Structure of human SHMT2 protein mutant”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.80). MolNFT v1 #139071 on GenesisL1: 3D structure, binding sites and…

PDB
5X3V
Type
protein
Length
887 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serine hydroxymethyltransferase, mitochondrial
EC
2.1.2.1
UniProt
P34897
Ligands
SO4
Pockets
10 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerine hydroxymethyltransferase, mitochondrial (EC 2.1.2.1)protein44548% helix, 12% strandP34897
BSerine hydroxymethyltransferase, mitochondrial (EC 2.1.2.1)protein44248% helix, 11% strandP34897

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18040.800.8398SO4
26600.790.8464SO4
3950.580.8620empty
4910.570.8624empty
51160.430.7821empty

Interfaces

1 interface between chains.

  • A–B · 4695 Ų buried · 66 hydrogen bonds · protein-protein

Compared structures

  • 5X3V · Structure of human SHMT2 protein mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P34897 · AlphaFold monomer V2.0 prediction for serine hydroxymethyltransferase, mitochondrial… · a predicted model of the same protein · chain A against A, TM-score 0.98

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