MolNFT v1 · #8452 · protein

Pyruvate formate-lyase (E.COLI) in complex with pyruvate

1H18 · Formate acetyltransferase 1: “Pyruvate formate-lyase (E.COLI) in complex with pyruvate”. X-ray diffraction, 3 ligands (DTL, PYR, NA), 14 pockets (best druggability 0.85). MolNFT v1 #8452 on GenesisL1: 3D structure, binding sites and…

PDB: 1H18
Type: protein
Length: 1,518 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Formate acetyltransferase 1
EC: 2.3.1.54
UniProt: P09373
Ligands: DTL, PYR, NA
Pockets: 14 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Formate acetyltransferase 1 (EC 2.3.1.54)	protein	759	47% helix, 13% strand	P09373

Ligands and binding sites

DTL · L-treitol · ligand · 4 copies · chains A, B
PYR · Pyruvic acid · ligand · 2 copies · chains A, B
NA · Sodium ion · metal · 7 copies · chains A, B
PG4 · Tetraethylene glycol · additive · 5 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	914	0.85	0.87	97	NA, DTL
2	97	0.74	0.96	28	DTL
3	97	0.72	0.95	31	DTL
4	54	0.69	0.97	24	empty
5	149	0.47	0.77	25	empty

Interfaces

1 interface between chains.

A–B · 2040 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

1H18 · Pyruvate Formate-Lyase (E.coli) in complex with Pyruvate · the same entry in another collection · chain A against A, TM-score 1.00
P09373 · AlphaFold monomer V2.0 prediction for formate acetyltransferase 1 (P09373) · 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 P09373
Elsewhere: RCSB PDB 1H18 · PDBe 1H18 · UniProt P09373

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