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MolNFT v1 · #108364 · protein

Crystal structure of prgk 19-92

4W4M · Lipoprotein prgk: “Crystal structure of prgk 19-92”. X-ray diffraction, 6 pockets (best druggability 0.75). MolNFT v1 #108364 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4W4M
Type
protein
Length
872 residues
Chains
14
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipoprotein prgk
UniProt
P41786
Pockets
6 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 45% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, D, F, GLipoprotein prgkprotein6146% helix, 30% strandP41786
C, E, I, MLipoprotein prgkprotein6245% helix, 29% strandP41786
H, J, K, LLipoprotein prgkprotein6444% helix, 28% strandP41786
NLipoprotein prgkprotein6344% helix, 29% strandP41786

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18870.750.7969empty
25120.630.7651empty
3640.370.7811empty
4990.330.7318empty
5980.330.7320empty

Interfaces

19 interfaces between chains.

  • K–L · 645 Ų buried · 13 hydrogen bonds · protein-protein
  • J–K · 608 Ų buried · 11 hydrogen bonds · protein-protein
  • J–N · 607 Ų buried · 12 hydrogen bonds · protein-protein
  • F–G · 600 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 590 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4W4M · Crystal structure of PrgK 19-92 · the same entry in another collection · chain N against N, TM-score 1.00

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