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MolNFT v1 · #178497 · protein

Crystal structure of multi-functional polysaccharide lyase SMLT1473- H168A from stenotrophomonas maltophilia (strain K279A) at pH-5.0

7FI2: “Crystal structure of multi-functional polysaccharide lyase SMLT1473- H168A from stenotrophomonas maltophilia…”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.60). MolNFT v1 #178497 on GenesisL1: 3D structure…

PDB
7FI2
Type
protein
Length
308 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polysaccharide lyase
EC
4.2.2.-
UniProt
B2FHL8
Ligands
SO4
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolysaccharide lyase (EC 4.2.2.-)protein30866% helix, 3% strandB2FHL8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A

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
14150.600.7552empty
2600.310.7613PEG

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7FI2 · Crystal structure of Multi-functional Polysaccharide lyase Smlt1473-H168A from… · the same entry in another collection · chain A against A, TM-score 1.00
  • B2FHL8 · AlphaFold monomer V2.0 prediction for polysaccharide lyase (B2FHL8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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