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K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA synthetase

Analyse K46bE&K114bD mutant ATP-grasp fold of Blastocystis hominis succinyl-CoA… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NO6
Type
protein
Length
463 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.911
Source
Blastocystis sp. subtype 1 (strain ATCC 50177 / NandII)
Molecule
Succinate--CoA ligase [ADP-forming] subunit beta
EC
6.2.1.5
UniProt
B3FHP0
Pockets
5 · best druggability 0.65

Structure

x-ray diffraction · resolution 1.911 · 2 distinct chains · 31% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuccinate--CoA ligase [ADP-forming] subunit beta (EC 6.2.1.5)protein22931% helix, 31% strandB3FHP0
BSuccinate--CoA ligase [ADP-forming] subunit beta (EC 6.2.1.5)protein23432% helix, 32% strandB3FHP0

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.650.9116empty
23380.620.7836empty
33240.600.7839empty
4740.340.7615empty
5520.290.7614empty

Interfaces

1 interface between chains.

  • A–B · 1337 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 6NO6 · K46BE&K114BD mutant ATP-grasp fold of blastocystis hominis succinyl- CoA synthetase · the same entry in another collection · chain A against A, TM-score 1.00
  • B3FHP0 · AlphaFold monomer V2.0 prediction for succinate--CoA ligase [ADP- forming] subunit beta… · a predicted model of the same protein · chain B against A, TM-score 0.98

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