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MolNFT v1 · #32722 · protein

Negative stain EM reconstruction of M.TUBERCULOSIS ACR1(HSP 16.3) fitted with wheat shsp dimer

2BYU · Heat shock protein 16.9B: “Negative stain EM reconstruction of M.TUBERCULOSIS ACR1(HSP 16.3) fitted with wheat shsp dimer”. Electron microscopy, 20 pockets (best druggability 0.62). MolNFT v1 #32722 on GenesisL1: 3D structure…

PDB
2BYU
Type
protein
Length
1,212 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat shock protein 16.9B
UniProt
Q41560
Pockets
20 · best druggability 0.62

Structure

electron microscopy · 1 distinct chain · 6% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, LHeat shock protein 16.9Bprotein1016% helix, 49% strandQ41560

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.620.8431empty
21670.610.8431empty
31740.610.8331empty
41690.610.8331empty
51680.610.8326empty

Interfaces

24 interfaces between chains.

  • G–H · 1563 Ų buried · 37 hydrogen bonds · protein-protein
  • I–J · 1562 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 1561 Ų buried · 37 hydrogen bonds · protein-protein
  • A–B · 1560 Ų buried · 37 hydrogen bonds · protein-protein
  • K–L · 1559 Ų buried · 37 hydrogen bonds · protein-protein

Compared structures

  • 2BYU · Negative stain EM reconstruction of M.tuberculosis Acr1(Hsp 16.3) fitted with wheat sHSP… · the same entry in another collection · chain L against L, TM-score 1.00

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