MolNFT v1 · #30288 · protein

Crystal structure of apo-hppe

1ZZ6 · Hydroxypropylphosphonic acid epoxidase: “Crystal structure of apo-hppe”. X-ray diffraction, 4 pockets (best druggability 0.60). MolNFT v1 #30288 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1ZZ6
Type: protein
Length: 364 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hydroxypropylphosphonic acid epoxidase
EC: 1.14.-.-
UniProt: Q56185
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hydroxypropylphosphonic acid epoxidase (EC 1.14.-.-)	protein	181	25% helix, 29% strand	Q56185
B	Hydroxypropylphosphonic acid epoxidase (EC 1.14.-.-)	protein	183	27% helix, 28% strand	Q56185

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	266	0.60	0.79	30	empty
2	250	0.60	0.80	31	empty
3	166	0.45	0.75	28	empty
4	140	0.41	0.74	22	empty

Interfaces

1 interface between chains.

A–B · 1501 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

1ZZ6 · Crystal Structure of Apo-HppE · the same entry in another collection · chain A against A, TM-score 1.00
Q56185 · AlphaFold monomer V2.0 prediction for (S)-2-hydroxypropylphosphonic acid epoxidase… · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q56185
Elsewhere: RCSB PDB 1ZZ6 · PDBe 1ZZ6 · UniProt Q56185

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