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MolNFT v1 · #114010 · protein

Crystal structure of mbp-saglb fusion protein with a 20-residue spacer in the connector helix

5AZA · Maltose-binding periplasmic PROTEIN,OLIGOSACCHARYL…: “Crystal structure of mbp-saglb fusion protein with a 20-residue spacer in the connector helix”. X-ray diffraction, 2 ligands (GLC, CA), 8 pockets (best druggability 0.72). MolNFT…

PDB
5AZA
Type
protein
Length
836 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose-binding periplasmic PROTEIN,OLIGOSACCHARYL transferase STT3 subunit related…
UniProt
P0AEX9, I6V0B8
Ligands
GLC, CA
Pockets
8 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose-binding periplasmic PROTEIN,OLIGOSACCHARYL transferase STT3 subunit related proteinprotein83631% helix, 34% strandP0AEX9, I6V0B8

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19150.720.7785empty
22890.720.8529GLC
33740.680.8131empty
42080.560.7923empty
52480.520.7539empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5AZA · Crystal structure of MBP-sAglB fusion protein with a 20-residue spacer in the connector… · the same entry in another collection · chain A against A, TM-score 1.00

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