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Crystal structure of the urea transporter from desulfovibrio vulgaris bound to 1,3-dimethylurea

Analyse Crystal structure of the urea transporter from desulfovibrio vulgaris bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3K3G
Type
protein
Length
331 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Urea transporter
UniProt
Q72CX3
Ligands
MMU, AU
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUrea transporterprotein33171% helix, 1% strandQ72CX3

Ligands and binding sites

  • MMU · 1,3-dimethylurea · ligand · 2 copies · chains A
  • AU · Gold ion · metal · 9 copies · chains A

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
12540.640.8132AU, MMU
23110.630.7929MMU

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3K3G · Crystal Structure of the Urea Transporter from Desulfovibrio Vulgaris Bound to… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q72CX3 · AlphaFold monomer V2.0 prediction for urea transporter DVU1160 (Q72CX3) · a predicted model of the same protein · chain A against A, TM-score 1.00

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