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MolNFT v1 · #68653 · protein

Crystal structure of putative carboxypeptidase (YP_103406.1) from burkholderia mallei atcc 23344 at 2.49 a resolution

3K2K: “Crystal structure of putative carboxypeptidase (YP_103406.1) from burkholderia mallei atcc 23344 at 2.49 a…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.65). MolNFT v1 #68653 on GenesisL1: 3D structure, binding…

PDB
3K2K
Type
protein
Length
387 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative carboxypeptidase
UniProt
Q62IR3
Ligands
CL
Pockets
3 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative carboxypeptidaseprotein38731% helix, 23% strandQ62IR3

Ligands and binding sites

  • CL · Chloride ion · ion · 4 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11730.650.8635CL
2520.430.8322GOL
3560.330.7714empty

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

  • 3K2K · Crystal structure of putative carboxypeptidase (YP_103406.1) from BURKHOLDERIA MALLEI… · the same entry in another collection · chain A against A, TM-score 1.00

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