GL1X · GenesisL1 explorer

MolNFT v1 · #135445 · protein

Burkholderia sp. beta-aminopeptidase

5TZB · D-aminopeptidase: “Burkholderia sp. beta-aminopeptidase”. X-ray diffraction, 1 ligand (CA), 20 pockets (best druggability 0.86). MolNFT v1 #135445 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TZB
Type
protein
Length
2,834 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D-aminopeptidase
UniProt
A0A0J6Q6M7
Ligands
CA
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 4 distinct chains · 31% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BD-aminopeptidaseprotein35432% helix, 27% strandA0A0J6Q6M7
C, F, DD-aminopeptidaseprotein35531% helix, 27% strandA0A0J6Q6M7
G, HD-aminopeptidaseprotein35330% helix, 27% strandA0A0J6Q6M7
ED-aminopeptidaseprotein35532% helix, 26% strandA0A0J6Q6M7

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, C, B, D, G, H, E, F

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

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110110.860.87141empty
29070.840.8672empty
39210.840.8669empty
46820.750.8194empty
57130.740.8087empty

Interfaces

15 interfaces between chains.

  • G–F · 1887 Ų buried · 41 hydrogen bonds · protein-protein
  • A–D · 1887 Ų buried · 41 hydrogen bonds · protein-protein
  • B–C · 1885 Ų buried · 42 hydrogen bonds · protein-protein
  • E–H · 1880 Ų buried · 42 hydrogen bonds · protein-protein
  • F–H · 1554 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 5TZB · Burkholderia sp. beta-aminopeptidase · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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