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MolNFT v1 · #138167 · protein

Crystal structure of a SUZ12-RBBP4-JARID2-AEBP2 heterotetrameric complex

5WAI · Histone-binding protein RBBP4: “Crystal structure of a SUZ12-RBBP4-JARID2-AEBP2 heterotetrameric complex”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.78). MolNFT v1 #138167 on GenesisL1: 3D structure, binding…

PDB
5WAI
Type
protein
Length
1,584 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone-binding protein RBBP4; Polycomb protein SUZ12; Zinc finger protein AEBP2…
UniProt
Q09028, Q15022, Q6ZN18, U6DXQ8
Ligands
ZN
Pockets
20 · best druggability 0.78

Structure

x-ray diffraction · 7 distinct chains · 17% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone-binding protein RBBP4protein39711% helix, 42% strandQ09028
BPolycomb protein SUZ12protein30023% helix, 34% strandQ15022
CZinc finger protein AEBP2protein9122% helix, 34% strandQ6ZN18
D, HJumonji, at-rich interactive domain 2protein1560% helix, 7% strandU6DXQ8
EHistone-binding protein RBBP4protein39110% helix, 42% strandQ09028
FPolycomb protein SUZ12protein28923% helix, 37% strandQ15022
GZinc finger protein AEBP2protein8612% helix, 36% strandQ6ZN18

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains B, F

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111810.780.80129empty
24880.760.8438empty
39520.760.79115empty
44530.750.8433empty
52480.720.8740empty

Interfaces

13 interfaces between chains.

  • A–B · 4995 Ų buried · 98 hydrogen bonds · protein-protein
  • E–F · 4247 Ų buried · 93 hydrogen bonds · protein-protein
  • B–C · 1263 Ų buried · 21 hydrogen bonds · protein-protein
  • F–G · 1227 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 1018 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 5WAI · Crystal Structure of a Suz12-Rbbp4-Jarid2-Aebp2 Heterotetrameric Complex · the same entry in another collection · chain H against H, TM-score 1.00
  • Q09028 · AlphaFold monomer V2.0 prediction for histone-binding protein RBBP4 (Q09028) · a predicted model of the same protein · chain E against A, TM-score 0.99
  • Q15022 · AlphaFold monomer V2.0 prediction for polycomb protein SUZ12 (Q15022) · a predicted model of the same protein · chain F against A, TM-score 0.98
  • Q6ZN18 · AlphaFold monomer V2.0 prediction for zinc finger protein AEBP2 (Q6ZN18) · a predicted model of the same protein · chain G against A, TM-score 0.94

Analyse

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