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Carbon regulatory pii-like protein sbtb from synechocystis sp. 6803 in complex with AMP

Analyse Carbon regulatory pii-like protein sbtb from synechocystis sp. 6803 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5O3R
Type
protein
Length
296 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Membrane-associated protein SLR1513
UniProt
P73954
Ligands
AMP, BCT
Pockets
4 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMembrane-associated protein SLR1513protein9633% helix, 45% strandP73954
BMembrane-associated protein SLR1513protein10132% helix, 43% strandP73954
CMembrane-associated protein SLR1513protein9932% helix, 43% strandP73954

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · 3 copies · chains A, B, C
  • BCT · Bicarbonate ion · ligand · chains B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11580.660.8724AMP
21800.660.8626AMP
31690.660.8625AMP
4500.240.7315empty

Interfaces

3 interfaces between chains.

  • A–B · 965 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 938 Ų buried · 19 hydrogen bonds · protein-protein
  • B–C · 897 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5O3R · Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with AMP · the same entry in another collection · chain A against A, TM-score 1.00
  • P73954 · AlphaFold monomer V2.0 prediction for membrane-associated protein SLR1513 (P73954) · a predicted model of the same protein · chain A against A, TM-score 0.92

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