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Crystal structure of a sugar ABC transporter (ACTODO_00688) from actinomyces odontolyticus atcc 17982 at 2.60 a resolution

Analyse Crystal structure of a sugar ABC transporter (ACTODO_00688) from actinomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5BQ3
Type
protein
Length
1,250 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhamnose ABC transporter, rhamnose-binding protein
UniProt
A7BAM4
Pockets
11 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRhamnose ABC transporter, rhamnose-binding proteinprotein31342% helix, 19% strandA7BAM4
C, DRhamnose ABC transporter, rhamnose-binding proteinprotein31243% helix, 20% strandA7BAM4

Pockets

11 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17550.790.8378empty
26700.740.8074empty
33510.590.7633empty
43830.570.7534empty
52440.560.7828empty

Interfaces

5 interfaces between chains.

  • A–C · 791 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 624 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 371 Ų buried · 1 hydrogen bond · protein-protein
  • C–D · 131 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 59 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 modified, 4 disulfide (engineered, disulfide).

Compared structures

  • 5BQ3 · Crystal structure of a sugar ABC transporter (ACTODO_00688) from Actinomyces… · the same entry in another collection · chain A against A, TM-score 1.00

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