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MolNFT v1 · #139181 · protein

Structure of tsrd from streptomyces laurentii

5X7L: “Structure of tsrd from streptomyces laurentii”. X-ray diffraction, 2 pockets (best druggability 0.63). MolNFT v1 #139181 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X7L
Type
protein
Length
269 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tsrd
UniProt
C0JRY3
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATsrdprotein13432% helix, 42% strandC0JRY3
BTsrdprotein13533% helix, 41% strandC0JRY3

Ligands and binding sites

  • IPA · Isopropyl alcohol · additive · 5 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13130.630.7937IPA
22490.630.8128IPA

Interfaces

1 interface between chains.

  • A–B · 1045 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 5X7L · Structure of TsrD from Streptomyces laurentii · the same entry in another collection · chain A against A, TM-score 1.00

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