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MolNFT v1 · #82400 · protein

Crystal structure of sphingomonas sp. A1 alginate-binding ptotein ALGQ1 in complex with unsaturated triguluronate

3VLV: “Crystal structure of sphingomonas sp. A1 alginate-binding ptotein ALGQ1 in complex with unsaturated…”. X-ray diffraction, 3 ligands (LGU, MAW, CA), 1 pocket (best druggability 0.83). MolNFT v1 #82400 on GenesisL1: 3D structure…

PDB
3VLV
Type
protein
Length
490 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ALGQ1
UniProt
Q9KWT6
Ligands
LGU, MAW, CA
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AALGQ1protein49045% helix, 15% strandQ9KWT6

Ligands and binding sites

  • LGU · alpha-L-gulopyranuronic acid · ligand · 2 copies · chains A
  • MAW · 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid · ligand · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111320.830.8491LGU, MAW

Compared structures

  • 3VLV · Crystal structure of Sphingomonas sp. A1 alginate-binding ptotein AlgQ1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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