Research workbench

Truncated human ATP-citrate lyase with ADP and tartrate bound

Analyse Truncated human ATP-citrate lyase with ADP and tartrate bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3PFF
Type: protein
Length: 735 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP-citrate synthase
EC: 2.3.3.8
UniProt: P53396
Ligands: ADP, MG
Pockets: 5 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP-citrate synthase (EC 2.3.3.8)	protein	735	36% helix, 24% strand	P53396

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
TLA · L(+)-tartaric acid · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	884	0.73	0.77	94	TLA
2	396	0.70	0.82	53	MG, ADP
3	87	0.64	0.90	21	empty
4	160	0.48	0.77	28	empty
5	56	0.34	0.78	18	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3PFF · Truncated human atp-citrate lyase with ADP and tartrate bound · the same entry in another collection · chain A against A, TM-score 1.00
P53396 · AlphaFold monomer V2.0 prediction for ATP-citrate synthase (P53396) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P53396
Elsewhere: RCSB PDB 3PFF · PDBe 3PFF · UniProt P53396

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