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MolNFT v1 · #173736 · protein

Structure of the mycobacterial esx-5 type VII secretion system hexameric pore complex

7B9F · ECCE5: “Structure of the mycobacterial esx-5 type VII secretion system hexameric pore complex”. Electron microscopy, 20 pockets (best druggability 0.69). MolNFT v1 #173736 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7B9F
Type
protein
Length
1,475 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ECCE5; ECCD5; ECCC5; ECCB5
UniProt
I0RST0, I0RSS8, I0RZI0, I0RZH9
Pockets
20 · best druggability 0.69

Structure

electron microscopy · 5 distinct chains · 53% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
EECCE5protein16528% helix, 34% strandI0RST0
XECCD5protein42566% helix, 8% strandI0RSS8
CECCC5protein33732% helix, 23% strandI0RZI0
DECCD5protein48563% helix, 8% strandI0RSS8
BECCB5protein6367% helix, 0% strandI0RZH9

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15830.690.7849empty
22980.680.8334empty
34690.680.7954empty
42820.670.8231empty
55000.650.7739empty

Interfaces

8 interfaces between chains.

  • X–D · 4115 Ų buried · 20 hydrogen bonds · protein-protein
  • C–D · 1608 Ų buried · 9 hydrogen bonds · protein-protein
  • D–B · 1374 Ų buried · 9 hydrogen bonds · protein-protein
  • X–C · 1150 Ų buried · 18 hydrogen bonds · protein-protein
  • E–X · 885 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 7B9F · Structure of the mycobacterial ESX-5 Type VII Secretion System hexameric pore complex · the same entry in another collection · chain E against E, TM-score 1.00

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