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Selective affimers recognize BCL-2 family proteins through non- canonical structural motifs

Analyse Selective affimers recognize BCL-2 family proteins through non- canonical… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6STJ
Type
protein
Length
875 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Induced myeloid leukemia cell differentiation protein mcl- 1; Cystatin domain-containing…
UniProt
Q07820
Pockets
12 · best druggability 0.83

Structure

x-ray diffraction · 7 distinct chains · 61% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInduced myeloid leukemia cell differentiation protein mcl- 1protein14182% helix, 1% strandQ07820
BInduced myeloid leukemia cell differentiation protein mcl- 1protein14282% helix, 1% strandQ07820
CInduced myeloid leukemia cell differentiation protein mcl- 1protein10380% helix, 0% strandQ07820
DInduced myeloid leukemia cell differentiation protein mcl- 1protein13484% helix, 0% strandQ07820
ECystatin domain-containing proteinprotein8920% helix, 55% strand—
FCystatin domain-containing proteinprotein9021% helix, 54% strand—
G, HCystatin domain-containing proteinprotein8823% helix, 58% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17160.830.8766empty
24130.800.8841empty
34640.800.8748empty
41660.650.8518empty
5610.500.8514empty

Interfaces

21 interfaces between chains.

  • A–E · 892 Ų buried · 12 hydrogen bonds · protein-protein
  • B–F · 887 Ų buried · 13 hydrogen bonds · protein-protein
  • D–H · 638 Ų buried · 8 hydrogen bonds · protein-protein
  • C–G · 610 Ų buried · 9 hydrogen bonds · protein-protein
  • B–H · 524 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6STJ · Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs · the same entry in another collection · chain A against A, TM-score 1.00

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