MolNFT v1 · #163486 · protein

Structure of human MTHFD2 in complex with TH9619

6S4F: “Structure of human MTHFD2 in complex with TH9619”. X-ray diffraction, 3 ligands (KUN, ADP, PO4). MolNFT v1 #163486 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6S4F
Type: protein
Length: 587 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P13995
Ligands: KUN, ADP, PO4

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	289	—	P13995
B	—	protein	298	—	P13995

Ligands and binding sites

KUN · (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid · ligand · 2 copies · chains A, B
ADP · Adenosine-5'-diphosphate · ligand · chains A
PO4 · Phosphate ion · ion · 8 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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

Compared structures

6S4F · Structure of human MTHFD2 in complex with TH9619 · 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 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P13995
Elsewhere: RCSB PDB 6S4F · PDBe 6S4F · UniProt P13995

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