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MolNFT v1 · #27565 · protein

Crystal structure of E.COLI tpr-protein nlpi

1XNF · Lipoprotein nlpi: “Crystal structure of E.COLI tpr-protein nlpi”. X-ray diffraction, 7 pockets (best druggability 0.58). MolNFT v1 #27565 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1XNF
Type
protein
Length
521 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lipoprotein nlpi
UniProt
P39833
Pockets
7 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALipoprotein nlpiprotein25976% helix, 0% strandP39833
BLipoprotein nlpiprotein26274% helix, 0% strandP39833

Ligands and binding sites

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11480.580.8328empty
21660.480.7721TRS
31700.480.7625TRS
42280.470.7326empty
51290.410.7521empty

Interfaces

1 interface between chains.

  • A–B · 1648 Ų buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 1XNF · Crystal structure of E.coli TPR-protein NlpI · the same entry in another collection · chain A against A, TM-score 1.00

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