GL1X · GenesisL1 explorer

MolNFT v1 · #67888 · protein

RING1B C-terminal DOMAIN/RYBP C-terminal domain complex

3IXS · E3 ubiquitin-protein ligase RING2: “RING1B C-terminal DOMAIN/RYBP C-terminal domain complex”. X-ray diffraction, 18 pockets (best druggability 0.64). MolNFT v1 #67888 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3IXS
Type
protein
Length
812 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E3 ubiquitin-protein ligase RING2; RING1 and YY1-binding protein
EC
6.3.2.-
UniProt
Q99496, Q8N488
Pockets
18 · best druggability 0.64

Structure

x-ray diffraction · 10 distinct chains · 21% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CE3 ubiquitin-protein ligase RING2 (EC 6.3.2.-)protein11128% helix, 28% strandQ99496
BRING1 and YY1-binding proteinprotein310% helix, 74% strandQ8N488
DRING1 and YY1-binding proteinprotein340% helix, 68% strandQ8N488
EE3 ubiquitin-protein ligase RING2 (EC 6.3.2.-)protein10128% helix, 31% strandQ99496
F, LRING1 and YY1-binding proteinprotein329% helix, 53% strandQ8N488
GE3 ubiquitin-protein ligase RING2 (EC 6.3.2.-)protein9928% helix, 33% strandQ99496
HRING1 and YY1-binding proteinprotein360% helix, 64% strandQ8N488
IE3 ubiquitin-protein ligase RING2 (EC 6.3.2.-)protein9527% helix, 34% strandQ99496
JRING1 and YY1-binding proteinprotein300% helix, 77% strandQ8N488
KE3 ubiquitin-protein ligase RING2 (EC 6.3.2.-)protein10022% helix, 32% strandQ99496

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, C, D, E, G, H
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains B, C

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

Pockets

18 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15180.640.7664empty
22800.610.8032empty
3830.560.8619NHE
43070.550.7632empty
51550.430.7520empty

Interfaces

25 interfaces between chains.

  • C–D · 1077 Ų buried · 23 hydrogen bonds · protein-protein
  • G–H · 1068 Ų buried · 16 hydrogen bonds · protein-protein
  • K–L · 1032 Ų buried · 18 hydrogen bonds · protein-protein
  • E–F · 988 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 959 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 3IXS · Ring1B C-terminal domain/RYBP C-terminal domain Complex · the same entry in another collection · chain L against L, TM-score 1.00

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