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MolNFT v1 · #66557 · protein

Crystal structure of prc-barrel domain protein from rhodopseudomonas palustris

3HTR · Uncharacterized prc-barrel domain protein: “Crystal structure of prc-barrel domain protein from rhodopseudomonas palustris”. X-ray diffraction, 1 ligand (ZN), 2 pockets (best druggability 0.49). MolNFT v1 #66557 on GenesisL1: 3D…

PDB
3HTR
Type
protein
Length
188 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized prc-barrel domain protein
UniProt
Q6N0K4
Ligands
ZN
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized prc-barrel domain proteinprotein9812% helix, 41% strandQ6N0K4
BUncharacterized prc-barrel domain proteinprotein9013% helix, 46% strandQ6N0K4

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • ACY · Acetic acid · additive · 3 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11150.490.8021empty
2540.310.7614ZN, ACY

Interfaces

1 interface between chains.

  • A–B · 1388 Ų buried · 46 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3HTR · Crystal Structure of PRC-barrel Domain Protein from Rhodopseudomonas palustris · the same entry in another collection · chain A against A, TM-score 1.00

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