GL1X · GenesisL1 explorer

MolNFT v1 · #102788 · protein

Crystal structure of the nemo cozi in complex with hoip NZF1 domain

4OWF · Nf-kappa-B essential modulator: “Crystal structure of the nemo cozi in complex with hoip NZF1 domain”. X-ray diffraction, 1 ligand (ZN). MolNFT v1 #102788 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4OWF
Type
protein
Length
198 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nf-kappa-B essential modulator; E3 ubiquitin-protein ligase RNF31
EC
6.3.2.-
UniProt
O88522, Q96EP0
Ligands
ZN

Structure

x-ray diffraction · 3 distinct chains · 82% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANf-kappa-B essential modulator (EC 6.3.2.-)protein8396% helix, 0% strandO88522
BNf-kappa-B essential modulator (EC 6.3.2.-)protein8697% helix, 0% strandO88522
GE3 ubiquitin-protein ligase RNF31 (EC 6.3.2.-)protein290% helix, 21% strandQ96EP0

Ligands and binding sites

  • ZN · Zinc ion · metal · chains G

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

Interfaces

3 interfaces between chains.

  • A–B · 2421 Ų buried · 9 hydrogen bonds · protein-protein
  • B–G · 359 Ų buried · 5 hydrogen bonds · protein-protein
  • A–G · 231 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4OWF · Crystal structure of the NEMO CoZi in complex with HOIP NZF1 domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96EP0 · AlphaFold monomer V2.0 prediction for E3 ubiquitin-protein ligase RNF31 (Q96EP0) · a predicted model of the same protein · chain G against A, TM-score 0.91
  • O88522 · AlphaFold monomer V2.0 prediction for nf-kappa-B essential modulator (O88522) · a predicted model of the same protein · chain A against A, TM-score 0.81

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