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Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5

Analyse Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D11
Type
protein
Length
878 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
1450 antibody, heavy chain; 1450 antibody, light chain; NANP5
Pockets
8 · best druggability 0.63

Structure

x-ray diffraction · 4 distinct chains · 4% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A1450 antibody, heavy chainprotein2163% helix, 49% strand—
B, D1450 antibody, light chainprotein2116% helix, 52% strand—
C1450 antibody, heavy chainprotein2214% helix, 50% strand—
ENANP5protein190% helix, 11% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14670.630.7742empty
22550.590.7932empty
33010.510.7433empty
42620.510.7530empty
51100.350.7318empty

Interfaces

8 interfaces between chains.

  • C–D · 1683 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 1626 Ų buried · 9 hydrogen bonds · protein-protein
  • C–E · 489 Ų buried · 11 hydrogen bonds · protein-protein
  • A–E · 389 Ų buried · 8 hydrogen bonds · protein-protein
  • B–E · 161 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 6D11 · Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5 · the same entry in another collection · chain A against A, TM-score 1.00

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