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MolNFT v1 · #84325 · protein

Structure of the phytase from citrobacter braakii at 2.3 ångström resolution.

3ZHC: “Structure of the phytase from citrobacter braakii at 2.3 ångström resolution.”. X-ray diffraction, 1 ligand (CL), 11 pockets (best druggability 0.77). MolNFT v1 #84325 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3ZHC
Type
protein
Length
803 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phytase
UniProt
Q2VY22
Ligands
CL
Pockets
11 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhytaseprotein39641% helix, 16% strandQ2VY22
BPhytaseprotein40742% helix, 16% strandQ2VY22

Ligands and binding sites

  • CL · Chloride ion · ion · 10 copies · chains A, B
  • FMT · Formic acid · additive · 16 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15300.770.8470CL, FMT
22850.670.8327FMT
33460.660.8136FMT, CL
43220.590.7835FMT, CL
51790.590.8224FMT

Interfaces

1 interface between chains.

  • A–B · 1386 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 3ZHC · Structure of the phytase from Citrobacter braakii at 2.3 angstrom resolution. · the same entry in another collection · chain A against A, TM-score 1.00

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