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MolNFT v1 · #167974 · protein

Human mabs broadly protect against infection of arthritiogenic alphaviruses by recognizing conserved elements of the MXR8 receptor binding domain

6W1C · E1 glycoprotein: “Human mabs broadly protect against infection of arthritiogenic alphaviruses by recognizing conserved elements…”. Electron microscopy, 20 pockets (best druggability 0.75). MolNFT v1 #167974 on GenesisL1: 3D…

PDB
6W1C
Type
protein
Length
4,596 residues
Chains
16
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
E1 glycoprotein; E2 glycoprotein; Fab chk-265 heavy chain; Fab chk-265 light chain
UniProt
Q8QZ72
Pockets
20 · best druggability 0.75

Structure

electron microscopy · 4 distinct chains · 3% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DE1 glycoproteinprotein3803% helix, 33% strandQ8QZ72
E, F, G, HE2 glycoproteinprotein3403% helix, 32% strandQ8QZ72
I, J, K, LFab chk-265 heavy chainprotein2181% helix, 45% strand—
M, N, O, PFab chk-265 light chainprotein2115% helix, 36% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111510.750.79178empty
210490.750.78166empty
35540.750.8393empty
48430.740.7993empty
511130.740.78122empty

Interfaces

21 interfaces between chains.

  • I–M · 604 Ų buried · 12 hydrogen bonds · protein-protein
  • L–P · 563 Ų buried · 7 hydrogen bonds · protein-protein
  • K–O · 541 Ų buried · 6 hydrogen bonds · protein-protein
  • C–G · 534 Ų buried · 14 hydrogen bonds · protein-protein
  • A–E · 530 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6W1C · Human mAbs broadly protect against infection of arthritiogenic alphaviruses by… · the same entry in another collection · chain A against A, TM-score 1.00

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