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Small heat shock protein HSP14.0 of C-terminal deletion variant with C-terminal peptide

Analyse Small heat shock protein HSP14.0 of C-terminal deletion variant with C-terminal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VQM
Type
protein
Length
1,528 residues
Chains
23
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small heat shock protein STHSP14.0; C-terminal peptide from small heat shock protein…
UniProt
Q970D9
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 12 distinct chains · 7% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASmall heat shock protein STHSP14.0protein1119% helix, 45% strandQ970D9
B, ISmall heat shock protein STHSP14.0protein1058% helix, 48% strandQ970D9
CSmall heat shock protein STHSP14.0protein1034% helix, 47% strandQ970D9
DSmall heat shock protein STHSP14.0protein1107% helix, 46% strandQ970D9
ESmall heat shock protein STHSP14.0protein1099% helix, 45% strandQ970D9
FSmall heat shock protein STHSP14.0protein1016% helix, 47% strandQ970D9
G, JSmall heat shock protein STHSP14.0protein11213% helix, 45% strandQ970D9
HSmall heat shock protein STHSP14.0protein1027% helix, 47% strandQ970D9
K, MSmall heat shock protein STHSP14.0protein1086% helix, 43% strandQ970D9
LSmall heat shock protein STHSP14.0protein985% helix, 40% strandQ970D9
NSmall heat shock protein STHSP14.0protein998% helix, 44% strandQ970D9
O, P, Q, R, S, T, U, V, WC-terminal peptide from small heat shock protein STHSP14.0protein50% helix, 20% strandQ970D9

Pockets

20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14770.760.8465empty
22690.750.8849empty
31900.750.9130empty
47140.710.7866empty
5730.650.9218empty

Interfaces

40 interfaces between chains.

  • A–B · 1968 Ų buried · 52 hydrogen bonds · protein-protein
  • I–J · 1880 Ų buried · 51 hydrogen bonds · protein-protein
  • E–F · 1794 Ų buried · 52 hydrogen bonds · protein-protein
  • M–N · 1745 Ų buried · 39 hydrogen bonds · protein-protein
  • G–H · 1739 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

  • 3VQM · Small heat shock protein hsp14.0 of C-terminal deletion variant with C-terminal peptide · the same entry in another collection · chain A against A, TM-score 1.00

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