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MolNFT v1 · #105861 · protein

Crystal structure of a hypothetical protein (BPSL2088) from burkholderia pseudomallei K96243 at 2.25 a resolution

4RHO · Uncharacterized protein: “Crystal structure of a hypothetical protein (BPSL2088) from burkholderia pseudomallei K96243 at 2.25 a…”. X-ray diffraction, 5 pockets (best druggability 0.84). MolNFT v1 #105861 on GenesisL1: 3D structure…

PDB
4RHO
Type
protein
Length
513 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
Q63T80
Pockets
5 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 28% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein25628% helix, 22% strandQ63T80
BUncharacterized proteinprotein25728% helix, 22% strandQ63T80

Ligands and binding sites

  • PGE · Triethylene glycol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18330.840.8698empty
22400.660.8321PGE
32450.640.8220PGE
41970.530.7834empty
5750.390.7819empty

Interfaces

1 interface between chains.

  • A–B · 919 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

  • 4RHO · Crystal structure of a hypothetical protein (BPSL2088) from Burkholderia pseudomallei… · the same entry in another collection · chain A against A, TM-score 1.00

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