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Crystal structure of a putative susd-like carbohydrate binding protein (BT_1439) from bacteroides thetaiotaomicron vpi-5482 at 1.88 a resolution

Analyse Crystal structure of a putative susd-like carbohydrate binding protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3SNX
Type
protein
Length
910 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative susd-like carbohydrate binding protein
UniProt
Q8A7T5
Pockets
10 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPutative susd-like carbohydrate binding proteinprotein45545% helix, 9% strandQ8A7T5

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.800.9823EDO
21040.800.9923EDO
31000.700.9323empty
4960.690.9322empty
53580.680.8135empty

Interfaces

1 interface between chains.

  • A–B · 594 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 26 modified (engineered).

Compared structures

  • 3SNX · Crystal structure of a PUTATIVE SUSD-LIKE CARBOHYDRATE BINDING PROTEIN (BT_1439) from… · the same entry in another collection · chain A against A, TM-score 1.00

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