MolNFT v1 · #111224 · protein

Mnemiopsis leidyi ML032222A iglur lbd complex with alanine

4YKJ: “Mnemiopsis leidyi ML032222A iglur lbd complex with alanine”. X-ray diffraction, 6 pockets (best druggability 0.64). MolNFT v1 #111224 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4YKJ
Type: protein
Length: 506 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ML032222A iglur
Pockets: 6 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ML032222A iglur	protein	249	35% helix, 27% strand	—
B	ML032222A iglur	protein	257	35% helix, 25% strand	—

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	257	0.64	0.81	37	empty
2	139	0.52	0.80	22	empty
3	109	0.47	0.80	18	empty
4	58	0.34	0.78	17	empty
5	62	0.28	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 986 Å² buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

4YKJ · Mnemiopsis leidyi ML032222a iGluR LBD complex with Alanine · 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 4YKJ · PDBe 4YKJ

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