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MolNFT v1 · #72825 · protein

Rhamnogalacturonan lyase from aspergillus aculeatus mutant H210A

3NJX · Rhamnogalacturonase B: “Rhamnogalacturonan lyase from aspergillus aculeatus mutant H210A”. X-ray diffraction, 2 ligands (CA, SO4), 3 pockets (best druggability 0.53). MolNFT v1 #72825 on GenesisL1: 3D structure, binding sites and…

PDB
3NJX
Type
protein
Length
508 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhamnogalacturonase B
EC
4.2.2.10
UniProt
Q00019
Ligands
CA, SO4
Pockets
3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARhamnogalacturonase B (EC 4.2.2.10)protein5086% helix, 44% strandQ00019

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12250.530.7734empty
21740.480.7623empty
3630.320.7517empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3NJX · Rhamnogalacturonan Lyase from Aspergillus aculeatus mutant H210A · the same entry in another collection · chain A against A, TM-score 1.00
  • Q00019 · AlphaFold monomer V2.0 prediction for rhamnogalacturonate lyase a (Q00019) · a predicted model of the same protein · chain A against A, TM-score 1.00

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