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MolNFT v1 · #70400 · protein

The X-ray structure of zebrafish RNASE1 from a new crystal form at pH 4.5

3LJD: “The X-ray structure of zebrafish RNASE1 from a new crystal form at pH 4.5”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.40). MolNFT v1 #70400 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3LJD
Type
protein
Length
252 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Zebrafish RNASE1
Ligands
SO4
Pockets
3 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BZebrafish RNASE1protein12622% helix, 36% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, B
  • ACT · Acetate ion · additive · chains B

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.400.7718empty
2650.350.7717empty
3520.270.7415empty

Interfaces

1 interface between chains.

  • A–B · 686 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3LJD · The X-ray structure of zebrafish RNase1 from a new crystal form at pH 4.5 · the same entry in another collection · chain A against A, TM-score 1.00

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