MolNFT v1 · #106380 · protein

Fructose-6-phosphate aldolase Y131F from E.COLI

4RXF · Fructose-6-phosphate aldolase 1: “Fructose-6-phosphate aldolase Y131F from E.COLI”. X-ray diffraction, 1 ligand (PO4), 20 pockets (best druggability 0.76). MolNFT v1 #106380 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4RXF
Type: protein
Length: 2,200 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fructose-6-phosphate aldolase 1
EC: 4.1.2.-
UniProt: P78055
Ligands: PO4
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J	Fructose-6-phosphate aldolase 1 (EC 4.1.2.-)	protein	220	51% helix, 17% strand	P78055

Ligands and binding sites

PO4 · Phosphate ion · ion · 10 copies · chains A, B, C, D, E, F, J, G, H, I

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	211	0.76	0.91	35	empty
2	339	0.76	0.87	54	empty
3	203	0.75	0.90	34	empty
4	201	0.74	0.90	34	empty
5	194	0.74	0.90	36	empty

Interfaces

25 interfaces between chains.

C–D · 1612 Å² buried · 5 hydrogen bonds · protein-protein
F–J · 1605 Å² buried · 7 hydrogen bonds · protein-protein
G–H · 1605 Å² buried · 7 hydrogen bonds · protein-protein
I–J · 1604 Å² buried · 7 hydrogen bonds · protein-protein
D–E · 1599 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4RXF · Fructose-6-phosphate aldolase Y131F from E.coli · the same entry in another collection · chain J against J, TM-score 1.00
P78055 · AlphaFold monomer V2.0 prediction for fructose-6-phosphate aldolase 1 (P78055) · a predicted model of the same protein · chain H against A, TM-score 0.99

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 P78055
Elsewhere: RCSB PDB 4RXF · PDBe 4RXF · UniProt P78055

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