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MolNFT v1 · #166851 · protein

Crystal structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866

6V2R · Chromobox protein homolog 7: “Crystal structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866”. X-ray diffraction, 2 ligands (5R0, UNX). MolNFT v1 #166851 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6V2R
Type
protein
Length
59 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chromobox protein homolog 7; UNC3866
UniProt
O95931
Ligands
5R0, UNX

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChromobox protein homolog 7protein5431% helix, 46% strandO95931
BUNC3866protein50% helix, 40% strand—

Ligands and binding sites

  • 5R0 · 4-~{tert}-butylbenzoic acid · ligand · chains A, B
  • UNX · Unknown atom or ion · ion · 17 copies · chains A

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

Interfaces

1 interface between chains.

  • A–B · 551 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 covalent (nonstandard, covalent ligand).

Compared structures

  • 6V2R · Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866 · the same entry in another collection · chain A against A, TM-score 1.00
  • O95931 · AlphaFold monomer V2.0 prediction for chromobox protein homolog 7 (O95931) · a predicted model of the same protein · chain A against A, TM-score 0.94

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