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Crystal structure of mate in complex with MAL6

Analyse Crystal structure of mate in complex with MAL6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3WBN
Type: protein
Length: 469 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein; MAL6
UniProt: Q8U2X0
Pockets: 3 · best druggability 0.87

Structure

x-ray diffraction · 2 distinct chains · 82% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative uncharacterized protein	protein	450	85% helix, 0% strand	Q8U2X0
B	MAL6	protein	19	0% helix, 53% strand	—

Ligands and binding sites

OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 5 copies · chains A, B

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

Pockets

3 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	1053	0.87	0.87	95	OLC
2	119	0.39	0.74	19	empty
3	60	0.29	0.73	10	empty

Interfaces

1 interface between chains.

A–B · 725 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

3WBN · Crystal structure of MATE in complex with MaL6 · 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
Every structure of UniProt Q8U2X0
Elsewhere: RCSB PDB 3WBN · PDBe 3WBN · UniProt Q8U2X0

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