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Crystal structure of native heptameric sap-like pentraxin from limulus polyphemus

Analyse Crystal structure of native heptameric sap-like pentraxin from limulus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FLP
Type
protein
Length
3,038 residues
Chains
14
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sap-like pentraxin
UniProt
Q8WQK3
Ligands
CA
Pockets
20 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, NSap-like pentraxinprotein2176% helix, 49% strandQ8WQK3

Ligands and binding sites

  • CA · Calcium ion · metal · 28 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18810.810.8387empty
29300.810.8398empty
38650.810.8390empty
48870.800.8298empty
59000.800.8298empty

Interfaces

28 interfaces between chains.

  • G–H · 892 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 890 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 889 Ų buried · 10 hydrogen bonds · protein-protein
  • I–J · 880 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 877 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 42 disulfide (disulfide).

Compared structures

  • 3FLP · Crystal structure of native heptameric SAP-like pentraxin from Limulus polyphemus · the same entry in another collection · chain A against A, TM-score 1.00

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