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MolNFT v1 · #37081 · protein

Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol with chloride ions

2FPP · Succinyl-CoA ligase [GDP-forming] alpha-chain, mitochondrial: “Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol with chloride ions”. X-ray diffraction, 2 ligands (SO4, CL), 5 pockets (best…

PDB
2FPP
Type
protein
Length
698 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Succinyl-CoA ligase [GDP-forming] alpha-chain, mitochondrial; Succinyl-CoA ligase…
EC
6.2.1.4
UniProt
P53590
Ligands
SO4, CL
Pockets
5 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuccinyl-CoA ligase [GDP-forming] alpha-chain, mitochondrial (EC 6.2.1.4)protein30535% helix, 21% strand—
BSuccinyl-CoA ligase [GDP-forming] beta-chain, mitochondrial (EC 6.2.1.4)protein39339% helix, 26% strandP53590

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • CL · Chloride ion · ion · 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, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18770.760.8069SO4
23280.690.8238empty
33060.610.7937SO4
41320.560.8326empty
5500.280.7513CL

Interfaces

1 interface between chains.

  • A–B · 2137 Ų buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 2FPP · Crystal structure of pig GTP-specific succinyl-CoA synthetase from polyethylene glycol… · the same entry in another collection · chain A against A, TM-score 1.00
  • P53590 · AlphaFold monomer V2.0 prediction for succinate--CoA ligase [GDP- forming] subunit beta… · a predicted model of the same protein · chain B against A, TM-score 0.94

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