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MolNFT v2 · #155610 · protein

Human MTHFD2 in complex with Compound 18

6KG2: “Human MTHFD2 in complex with Compound 18”. X-ray diffraction at 2.25, 3 ligands (D8C, NAD, PO4). MolNFT v2 #155610 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6KG2
Type
protein
Length
583 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.25
Source
Homo sapiens
UniProt
P13995
Ligands
D8C, NAD, PO4

Structure

x-ray diffraction · resolution 2.25 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein293—P13995
B—protein290—P13995

Ligands and binding sites

  • D8C · N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide · ligand · 2 copies · chains A, B
  • NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Compared structures

  • 6KG2 · Human MTHFD2 in complex with compound 18 · the same entry in another collection · chain A against A, TM-score 1.00
  • P13995 · AlphaFold monomer V2.0 prediction for bifunctional methylenetetrahydrofolate… · a predicted model of the same protein · chain A against A, TM-score 0.99

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