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MolNFT v1 · #75730 · protein

Crystal structure of FTASE(ALPHA-subunit; beta-subunit delta C10) in complex with BMS3 and lipid substrate fpp

3PZ4 · Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type…: “Crystal structure of FTASE(ALPHA-subunit; beta-subunit delta C10) in complex with BMS3 and lipid substrate fpp”. X-ray diffraction, 3 ligands (FPP, 3PZ, ZN), 13 pockets…

PDB
3PZ4
Type
protein
Length
718 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type- 1 subunit alpha; Protein…
EC
2.5.1.58, 2.5.1.59
UniProt
Q04631, Q02293
Ligands
FPP, 3PZ, ZN
Pockets
13 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERASE type- 1 subunit alpha (EC 2.5.1.58, 2.5.1.59)protein31566% helix, 1% strandQ04631
BProtein farnesyltransferase subunit beta (EC 2.5.1.58)protein40353% helix, 6% strandQ02293

Ligands and binding sites

  • FPP · Farnesyl diphosphate · ligand · chains A, B
  • 3PZ · (3R)-3-benzyl-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile · ligand · chains B
  • ZN · Zinc ion · metal · chains B

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

Pockets

13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110430.770.7974FPP, 3PZ
22640.730.8741empty
3620.670.9520empty
41440.550.8220empty
5510.550.9017empty

Interfaces

1 interface between chains.

  • A–B · 3498 Ų buried · 70 hydrogen bonds · protein-protein

Compared structures

  • 3PZ4 · Crystal structure of FTase(ALPHA-subunit; BETA-subunit DELTA C10) in complex with BMS3… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q04631 · AlphaFold monomer V2.0 prediction for protein FARNESYLTRANSFERASE/GERANYLGERANYLTRANSFERAS… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q02293 · AlphaFold monomer V2.0 prediction for protein farnesyltransferase subunit beta (Q02293) · a predicted model of the same protein · chain B against A, TM-score 0.99

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