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Crystal structure of the BD1-ntpr complex from BEND3 and pich

Analyse Crystal structure of the BD1-ntpr complex from BEND3 and pich in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JNO
Type
protein
Length
154 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ben domain-containing protein 3; DNA excision repair protein ercc-6-like
EC
3.6.4.12
UniProt
Q5T5X7, Q2NKX8
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABen domain-containing protein 3protein9775% helix, 0% strandQ5T5X7
BDNA excision repair protein ercc-6-like (EC 3.6.4.12)protein5767% helix, 0% strandQ2NKX8

Ligands and binding sites

  • GOL · Glycerol · additive · 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
12310.560.7830empty

Interfaces

1 interface between chains.

  • A–B · 826 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 5JNO · Crystal structure of the BD1-NTPR complex from BEND3 and PICH · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5T5X7 · AlphaFold monomer V2.0 prediction for ben domain-containing protein 3 (Q5T5X7) · a predicted model of the same protein · chain A against A, TM-score 0.93
  • Q2NKX8 · AlphaFold monomer V2.0 prediction for DNA excision repair protein ercc-6-like (Q2NKX8) · a predicted model of the same protein · chain B against A, TM-score 0.88

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