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Crystal structure of peptide transporter pot (E310Q mutant) in complex with sulfate

Analyse Crystal structure of peptide transporter pot (E310Q mutant) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IKY
Type: protein
Length: 492 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Di-tripeptide ABC transporter (permease)
Ligands: OLA, SO4
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Di-tripeptide ABC transporter (permease)	protein	492	80% helix, 2% strand	—

Ligands and binding sites

OLA · Oleic acid · ligand · 6 copies · chains A
SO4 · Sulfate ion · ion · 7 copies · chains A
OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	848	0.76	0.80	80	SO4
2	78	0.43	0.80	19	empty
3	115	0.40	0.75	21	OLC
4	70	0.36	0.76	13	empty
5	51	0.27	0.73	14	OLA

Compared structures

4IKY · Crystal structure of peptide transporter POT (E310Q mutant) in complex with sulfate · the same entry in another collection · 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
Elsewhere: RCSB PDB 4IKY · PDBe 4IKY

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