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MolNFT v1 · #56992 · protein

Rhamnose-binding lectin CSL3

2ZX1: “Rhamnose-binding lectin CSL3”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.60). MolNFT v1 #56992 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2ZX1
Type
protein
Length
390 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CSL3
Ligands
PO4
Pockets
5 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCSL3protein19516% helix, 36% strand—

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12350.600.8037PO4
21600.520.7935empty
31030.400.7724empty
41050.390.7626empty
5530.380.8116empty

Interfaces

1 interface between chains.

  • A–B · 1524 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

  • 2ZX1 · Rhamnose-binding lectin CSL3 · the same entry in another collection · chain A against A, TM-score 1.00

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