MolNFT v1 · #14954 · protein

Maltoporin maltohexaose complex

1MPO: “Maltoporin maltohexaose complex”. X-ray diffraction, 2 ligands (GLC, MG), 10 pockets (best druggability 0.79). MolNFT v1 #14954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1MPO
Type: protein
Length: 1,263 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maltoporin
UniProt: P02943
Ligands: GLC, MG
Pockets: 10 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 61% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Maltoporin	protein	421	3% helix, 61% strand	P02943

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 15 copies · chains A, B, C
MG · Magnesium ion · metal · 3 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.79	0.98	23	empty
2	872	0.69	0.75	100	GLC
3	818	0.68	0.75	96	GLC
4	583	0.62	0.74	66	GLC
5	219	0.52	0.77	28	empty

Interfaces

3 interfaces between chains.

A–C · 1901 Å² buried · 23 hydrogen bonds · protein-protein
B–C · 1900 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 1893 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

1MPO · Maltoporin maltohexaose complex · the same entry in another collection · chain A against A, TM-score 1.00
P02943 · AlphaFold monomer V2.0 prediction for maltoporin (P02943) · a predicted model of the same protein · chain A 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 P02943
Elsewhere: RCSB PDB 1MPO · PDBe 1MPO · UniProt P02943

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