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MolNFT v1 · #180801 · protein

Crystal structure of octaprenyl diphosphate synthase from stenotrophomonas maltophilia

7LBJ · Geranyltranstransferase: “Crystal structure of octaprenyl diphosphate synthase from stenotrophomonas maltophilia”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.69). MolNFT v1 #180801 on GenesisL1: 3D structure…

PDB
7LBJ
Type
protein
Length
553 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Geranyltranstransferase
EC
2.5.1.10
UniProt
B2FP37
Ligands
CL
Pockets
6 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGeranyltranstransferase (EC 2.5.1.10)protein27872% helix, 1% strandB2FP37
BGeranyltranstransferase (EC 2.5.1.10)protein27575% helix, 1% strandB2FP37

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14510.690.8148empty
24940.650.7848empty
3750.410.8017empty
4510.400.8213empty
5750.360.7717empty

Interfaces

1 interface between chains.

  • A–B · 1697 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 7LBJ · Crystal structure of octaprenyl diphosphate synthase from Stenotrophomonas maltophilia · the same entry in another collection · chain A against A, TM-score 1.00

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