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MolNFT v1 · #138483 · protein

Crystal structure of antibody 27F3 recognizing the ha from A/CALIFORNIA/04/2009 (H1N1) influenza virus

5WKO · Antibody 27F3 heavy chain: “Crystal structure of antibody 27F3 recognizing the ha from A/CALIFORNIA/04/2009 (H1N1) influenza virus”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #138483 on GenesisL1: 3D…

PDB
5WKO
Type
protein
Length
5,608 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody 27F3 heavy chain; Antibody 27F3 light chain; Hemagglutinin
UniProt
Q6N089, Q9UL78, Q6P5S8, C3W5S1, A0A023ZYH9
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 7 distinct chains · 16% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, G, I, KAntibody 27F3 heavy chainprotein2254% helix, 50% strandQ6N089
B, D, F, H, J, LAntibody 27F3 light chainprotein2134% helix, 49% strandQ9UL78, Q6P5S8
M, SHemagglutininprotein3248% helix, 42% strandC3W5S1
N, THemagglutininprotein3238% helix, 40% strandC3W5S1
O, UHemagglutininprotein3268% helix, 40% strandC3W5S1
P, VHemagglutininprotein17557% helix, 14% strandA0A023ZYH9
Q, R, W, XHemagglutininprotein17156% helix, 15% strandA0A023ZYH9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.840.9630empty
22060.830.9628empty
38840.800.82107empty
48740.790.82102empty
511780.750.78123empty

Interfaces

60 interfaces between chains.

  • U–X · 2826 Ų buried · 41 hydrogen bonds · protein-protein
  • O–R · 2782 Ų buried · 41 hydrogen bonds · protein-protein
  • T–W · 2750 Ų buried · 38 hydrogen bonds · protein-protein
  • M–P · 2742 Ų buried · 38 hydrogen bonds · protein-protein
  • S–V · 2731 Ų buried · 40 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 60 disulfide (disulfide).

Compared structures

  • 5WKO · Crystal structure of antibody 27F3 recognizing the HA from A/California/04/2009 (H1N1)… · the same entry in another collection · chain A against A, TM-score 1.00

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