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Crystal structure of arthrobacter aurescens chondroitin ac lyase

Analyse Crystal structure of arthrobacter aurescens chondroitin ac lyase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1RWA
Type
protein
Length
754 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chondroitin ac lyase
EC
4.2.2.5
UniProt
P84141
Ligands
HG
Pockets
8 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChondroitin ac lyase (EC 4.2.2.5)protein75433% helix, 27% strandP84141

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 3 copies · chains A
  • GOL · Glycerol · additive · 4 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19710.760.7886GOL
2730.450.8217empty
3520.380.8117HG
4580.350.7814empty
5510.350.7921empty

Compared structures

  • 1RWA · Crystal structure of Arthrobacter aurescens chondroitin AC lyase · the same entry in another collection · chain A against A, TM-score 1.00

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