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Crystal structure of the small alarmone hydrolase (sah) of pseudomonas aeruginosa

Analyse Crystal structure of the small alarmone hydrolase (sah) of pseudomonas… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YVC
Type
protein
Length
695 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bifunctional (P)PPGPP SYNTHETASE/GUANOSINE-3',5'- BIS(DIPHOSPHATE) 3'-pyrophosphohydrolase
UniProt
A0A071L0I0
Ligands
MN
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 72% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABifunctional (P)PPGPP SYNTHETASE/GUANOSINE-3',5'- BIS(DIPHOSPHATE) 3'-pyrophosphohydrolaseprotein17571% helix, 2% strandA0A071L0I0
BBifunctional (P)PPGPP SYNTHETASE/GUANOSINE-3',5'- BIS(DIPHOSPHATE) 3'-pyrophosphohydrolaseprotein17372% helix, 2% strandA0A071L0I0
CBifunctional (P)PPGPP SYNTHETASE/GUANOSINE-3',5'- BIS(DIPHOSPHATE) 3'-pyrophosphohydrolaseprotein17571% helix, 2% strandA0A071L0I0
DBifunctional (P)PPGPP SYNTHETASE/GUANOSINE-3',5'- BIS(DIPHOSPHATE) 3'-pyrophosphohydrolaseprotein17273% helix, 2% strandA0A071L0I0

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16420.770.8272MN
25170.690.7944MN
33660.650.8037MN
42540.610.8031empty
51960.520.7833empty

Interfaces

5 interfaces between chains.

  • A–B · 1401 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 685 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 292 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 289 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 48 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6YVC · Crystal structure of the small alarmone hydrolase (SAH) of Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00

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