MolNFT v1 · #17054 · protein

Sucrose-specific porin, with bound sucrose molecules

1OH2 · Sucrose porin: “Sucrose-specific porin, with bound sucrose molecules”. X-ray diffraction, 3 ligands (GLC, FRU, CA), 6 pockets (best druggability 0.77). MolNFT v1 #17054 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1OH2
Type: protein
Length: 1,239 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sucrose porin
UniProt: P22340
Ligands: GLC, FRU, CA
Pockets: 6 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 56% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
P, R	Sucrose porin	protein	413	7% helix, 56% strand	P22340
Q	Sucrose porin	protein	413	8% helix, 56% strand	P22340

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 6 copies · chains P, R, Q
FRU · beta-D-fructofuranose · sugar · 6 copies · chains P, R, Q
CA · Calcium ion · metal · 3 copies · chains P, Q, R

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	73	0.77	0.99	13	empty
2	863	0.73	0.77	86	GLC, FRU
3	864	0.72	0.77	84	GLC, FRU
4	1184	0.70	0.74	108	GLC, FRU
5	81	0.32	0.73	19	empty

Interfaces

3 interfaces between chains.

Q–R · 2012 Å² buried · 24 hydrogen bonds · protein-protein
P–R · 2011 Å² buried · 23 hydrogen bonds · protein-protein
P–Q · 2000 Å² buried · 22 hydrogen bonds · protein-protein

Compared structures

1OH2 · Sucrose-Specific Porin, with Bound Sucrose Molecules · the same entry in another collection · chain P against P, TM-score 1.00
P22340 · AlphaFold monomer V2.0 prediction for sucrose porin (P22340) · a predicted model of the same protein · chain P against A, TM-score 1.00

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 P22340
Elsewhere: RCSB PDB 1OH2 · PDBe 1OH2 · UniProt P22340

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