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Crystal structure of chitinase-like agglutinin robpscra from robinia pseudoacacia

Analyse Crystal structure of chitinase-like agglutinin robpscra from robinia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4URI
Type
protein
Length
673 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chitinase-related agglutinin
UniProt
A1YZD2
Ligands
NA, CL
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChitinase-related agglutininprotein33639% helix, 26% strandA1YZD2
BChitinase-related agglutininprotein33740% helix, 26% strandA1YZD2

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A, B
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111430.790.81100MPD
21150.480.7924MPD

Interfaces

1 interface between chains.

  • A–B · 625 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 4URI · Crystal structure of chitinase-like agglutinin RobpsCRA from Robinia pseudoacacia · the same entry in another collection · chain A against A, TM-score 1.00

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