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Putative sugar aminotransferase SPR1654 from streptococcus pneumoniae, pmp-form

Analyse Putative sugar aminotransferase SPR1654 from streptococcus pneumoniae, pmp-form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EWR
Type
protein
Length
1,592 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative capsular polysaccharide biosynthesis protein
UniProt
A0A0H2URM1
Ligands
PMP
Pockets
14 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 43% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative capsular polysaccharide biosynthesis proteinprotein39942% helix, 16% strandA0A0H2URM1
BPutative capsular polysaccharide biosynthesis proteinprotein39643% helix, 16% strandA0A0H2URM1
CPutative capsular polysaccharide biosynthesis proteinprotein40043% helix, 16% strandA0A0H2URM1
DPutative capsular polysaccharide biosynthesis proteinprotein39743% helix, 16% strandA0A0H2URM1

Ligands and binding sites

  • PMP · 4'-deoxy-4'-aminopyridoxal-5'-phosphate · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11670.800.9623empty
27740.750.8080PMP
36320.740.8170PMP
47630.740.7971PMP
5650.740.9923empty

Interfaces

6 interfaces between chains.

  • A–B · 2603 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 2579 Ų buried · 34 hydrogen bonds · protein-protein
  • B–C · 202 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 168 Ų buried · 1 hydrogen bond · protein-protein
  • B–D · 126 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6EWR · Putative sugar aminotransferase Spr1654 from Streptococcus pneumoniae, PMP-form · the same entry in another collection · chain A against A, TM-score 1.00

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