MolNFT v1 · #14952 · protein

Maltoporin maltose complex

1MPM: “Maltoporin maltose complex”. X-ray diffraction, 3 ligands (BGC, GLC, MG), 9 pockets (best druggability 0.77). MolNFT v1 #14952 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1MPM
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: BGC, GLC, MG
Pockets: 9 · best druggability 0.77

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

BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, B, C
GLC · alpha-D-glucopyranose · sugar · 6 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

9 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	92	0.77	0.98	20	empty
2	870	0.69	0.75	108	BGC, GLC
3	905	0.68	0.74	107	BGC, GLC
4	620	0.63	0.74	66	BGC, GLC
5	220	0.52	0.76	31	empty

Interfaces

3 interfaces between chains.

B–C · 1903 Å² buried · 23 hydrogen bonds · protein-protein
A–C · 1898 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 1895 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

1MPM · Maltoporin maltose 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 1MPM · PDBe 1MPM · UniProt P02943

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