GL1X · GenesisL1 explorer

MolNFT v1 · #151050 · protein

Bdellovibrio bacteriovorus dgcb full-length

6HBZ · Ggdef domain protein: “Bdellovibrio bacteriovorus dgcb full-length”. X-ray diffraction, 2 ligands (C2E, CL), 1 pocket (best druggability 0.76). MolNFT v1 #151050 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6HBZ
Type
protein
Length
539 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ggdef domain protein
UniProt
Q6MPU8
Ligands
C2E, CL
Pockets
1 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGgdef domain proteinprotein26931% helix, 30% strandQ6MPU8
BGgdef domain proteinprotein27029% helix, 30% strandQ6MPU8

Ligands and binding sites

  • C2E · 9,9'-[(2r,3r,3as,5s,7ar,9r,10r,10as,12s,14ar)-3,5,10, 12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3, 2-D:3',2'-J][1,3,7,9,2, 8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one) · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · 5 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110080.760.7998C2E

Interfaces

1 interface between chains.

  • A–B · 1242 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 6HBZ · Bdellovibrio bacteriovorus DgcB Full-length · the same entry in another collection · chain A against A, TM-score 1.00

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