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Anti-marburgvirus nucleoprotein single domain antibody C

Analyse Anti-marburgvirus nucleoprotein single domain antibody C in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4W2P
Type
protein
Length
482 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti-marburgvirus nucleoprotein single domain antibody C
Ligands
NA
Pockets
7 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 10% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnti-marburgvirus nucleoprotein single domain antibody Cprotein12610% helix, 48% strand—
BAnti-marburgvirus nucleoprotein single domain antibody Cprotein12212% helix, 45% strand—
CAnti-marburgvirus nucleoprotein single domain antibody Cprotein1208% helix, 52% strand—
DAnti-marburgvirus nucleoprotein single domain antibody Cprotein11411% helix, 49% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • ACT · Acetate ion · additive · 2 copies · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13140.710.8438empty
21840.590.8237empty
32420.540.7730empty
42480.510.7521empty
51740.460.7635empty

Interfaces

4 interfaces between chains.

  • C–D · 763 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 561 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 432 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 169 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4W2P · Anti-Marburgvirus Nucleoprotein Single Domain Antibody C · the same entry in another collection · chain A against A, TM-score 1.00

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