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Cross-linked barnase soaked in bromo-ethanol

Analyse Cross-linked barnase soaked in bromo-ethanol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2F5M
Type
protein
Length
324 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribonuclease
EC
3.1.27.-
UniProt
P00648
Ligands
BRJ
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CRibonuclease (EC 3.1.27.-)protein10822% helix, 23% strandP00648

Ligands and binding sites

  • BRJ · 2-bromoethanol · ligand · 2 copies · chains B, C

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
13120.520.7334empty

Interfaces

1 interface between chains.

  • B–C · 218 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 2F5M · Cross-linked barnase soaked in bromo-ethanol · the same entry in another collection · chain B against B, TM-score 1.00

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