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MolNFT v2 · #151543 · protein

XaxAB pore complex from Xenorhabdus nematophila

6GY6: “XaxAB pore complex from Xenorhabdus nematophila”. Electron microscopy at 4.0, 20 pockets (best druggability 0.77). MolNFT v2 #151543 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6GY6
Type
protein
Length
9,139 residues
Chains
26
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
4.0
Source
Xenorhabdus nematophila ATCC 19061
Molecule
XaxA; XaxB
UniProt
D3VB22, D3VB23
Pockets
20 · best druggability 0.77

Structure

electron microscopy · resolution 4.0 · 2 distinct chains · 81% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, D, E, F, I, J, M, P, Q, R, S, TXaxAprotein36580% helix, 3% strandD3VB22
B, G, H, K, L, N, O, U, V, W, X, Y, ZXaxBprotein33882% helix, 0% strandD3VB23

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18780.770.80111empty
210200.760.78103empty
36980.760.8197empty
49070.750.79116empty
59450.740.78112empty

Interfaces

52 interfaces between chains.

  • G–C · 3119 Ų buried · 28 hydrogen bonds · protein-protein
  • W–Q · 3116 Ų buried · 28 hydrogen bonds · protein-protein
  • Z–T · 3114 Ų buried · 28 hydrogen bonds · protein-protein
  • H–D · 3113 Ų buried · 28 hydrogen bonds · protein-protein
  • L–F · 3112 Ų buried · 28 hydrogen bonds · protein-protein

Compared structures

  • 6GY6 · Xaxab pore complex from xenorhabdus nematophila · the same entry in another collection · chain B against B, TM-score 1.00

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