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Crystal structure of E. COLI maltose transporter MALFGK2 in complex with its regulatory protein eiiaglc

Analyse Crystal structure of E. COLI maltose transporter MALFGK2 in complex with its… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4JBW
Type: protein
Length: 3,616 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maltose transport system permease protein malf; Maltose transport system permease protein…
EC: 3.6.3.19, 2.7.1.-
UniProt: P02916, P68183, P68187, P69783
Ligands: PGV
Pockets: 20 · best druggability 0.88

Structure

x-ray diffraction · 5 distinct chains · 45% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
F	Maltose transport system permease protein malf	protein	492	51% helix, 14% strand	P02916
G, I	Maltose transport system permease protein malg	protein	286	65% helix, 1% strand	P68183
A, B, C, D	MALTOSE/MALTODEXTRIN import ATP-binding protein malk (EC 3.6.3.19)	protein	370	26% helix, 31% strand	P68187
M, N, O, P	Glucose-specific phosphotransferase enzyme iia component (EC 2.7.1.-)	protein	150	11% helix, 42% strand	P69783
H	Maltose transport system permease protein malf	protein	472	52% helix, 9% strand	P02916

Ligands and binding sites

PGV · (1R)-2-{[{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy) phosphoryl]oxy}-1-[(palmitoyloxy)methyl]ethyl (11E)-octadec-11-enoate · ligand · 2 copies · chains F, G, H, I

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1115	0.88	0.90	114	empty
2	1151	0.88	0.90	110	empty
3	1100	0.83	0.84	82	empty
4	1125	0.83	0.84	86	empty
5	740	0.76	0.81	77	empty

Interfaces

23 interfaces between chains.

F–G · 4155 Å² buried · 10 hydrogen bonds · protein-protein
H–I · 4129 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 1726 Å² buried · 12 hydrogen bonds · protein-protein
A–B · 1678 Å² buried · 8 hydrogen bonds · protein-protein
D–O · 960 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4JBW · Crystal structure of E. coli maltose transporter MalFGK2 in complex with its regulatory… · the same entry in another collection · chain P against P, 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 P02916
Every structure of UniProt P68183
Every structure of UniProt P68187
Every structure of UniProt P69783
Elsewhere: RCSB PDB 4JBW · PDBe 4JBW · UniProt P02916 · UniProt P68183 · UniProt P68187 · UniProt P69783

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