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Crystal structure of the hydrolase domain of 10-formyltetrahydrofolate dehydrogenase (wild-type) complex with tetrahydrofolate

Analyse Crystal structure of the hydrolase domain of 10-formyltetrahydrofolate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4QPD
Type: protein
Length: 616 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 10-formyltetrahydrofolate dehydrogenase
EC: 1.5.1.6
UniProt: E3NZ06
Ligands: THG
Pockets: 4 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	10-formyltetrahydrofolate dehydrogenase (EC 1.5.1.6)	protein	308	25% helix, 28% strand	E3NZ06

Ligands and binding sites

THG · (6S)-5,6,7,8-tetrahydrofolate · ligand · 3 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	490	0.68	0.79	59	PEG, THG
2	338	0.63	0.79	38	PEG, THG
3	186	0.50	0.77	25	THG
4	102	0.44	0.78	20	empty

Interfaces

1 interface between chains.

A–B · 489 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4QPD · Crystal structure of the hydrolase domain of 10-formyltetrahydrofolate dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt E3NZ06
Elsewhere: RCSB PDB 4QPD · PDBe 4QPD · UniProt E3NZ06

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