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Structure of artocarpin complexed with me-alpha-mannose

Analyse Structure of artocarpin complexed with me-alpha-mannose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1J4U
Type: protein
Length: 596 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Artocarpin
UniProt: Q7M1T4
Ligands: MMA
Pockets: 1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 62% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Artocarpin	protein	149	0% helix, 62% strand	Q7M1T4

Ligands and binding sites

MMA · methyl alpha-D-mannopyranoside · sugar · 4 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	553	0.82	0.88	72	empty

Interfaces

6 interfaces between chains.

A–B · 940 Å² buried · 20 hydrogen bonds · protein-protein
C–D · 938 Å² buried · 21 hydrogen bonds · protein-protein
B–D · 769 Å² buried · 14 hydrogen bonds · protein-protein
A–C · 768 Å² buried · 12 hydrogen bonds · protein-protein
A–D · 58 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (nonstandard).

Compared structures

1J4U · Structure of Artocarpin Complexed with Me-alpha-Mannose · 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 Q7M1T4
Elsewhere: RCSB PDB 1J4U · PDBe 1J4U · UniProt Q7M1T4

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