MolNFT v1 · #7289 · protein

MALK

1G29 · Maltose transport protein malk: “MALK”. X-ray diffraction, 5 ligands (POP, NA, MG), 6 pockets (best druggability 0.85). MolNFT v1 #7289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1G29
Type: protein
Length: 744 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maltose transport protein malk
UniProt: Q9YGA6
Ligands: POP, NA, MG, CL, NH4
Pockets: 6 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
1, 2	Maltose transport protein malk	protein	372	30% helix, 35% strand	Q9YGA6

Ligands and binding sites

POP · Pyrophosphate 2- · ligand · 2 copies · chains 1, 2
NA · Sodium ion · metal · 28 copies · chains 1, 2
MG · Magnesium ion · metal · 11 copies · chains 1, 2
CL · Chloride ion · ion · 10 copies · chains 1, 2
NH4 · Ammonium ion · ion · 3 copies · chains 1, 2
DIO · 1,4-diethylene dioxide · additive · 3 copies · chains 1

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1175	0.85	0.86	117	MG, POP
2	154	0.65	0.87	30	NA
3	159	0.53	0.79	20	POP
4	83	0.36	0.75	16	empty
5	80	0.33	0.74	15	empty

Interfaces

1 interface between chains.

1–2 · 1454 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

1G29 · MALK · the same entry in another collection · chain 1 against 1, TM-score 1.00
Q9YGA6 · AlphaFold monomer V2.0 prediction for TREHALOSE/MALTOSE import ATP- binding protein malk… · a predicted model of the same protein · chain 1 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 Q9YGA6
Elsewhere: RCSB PDB 1G29 · PDBe 1G29 · UniProt Q9YGA6

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