MolNFT v1 · #158877 · protein

Crystal structure of the ljcastor gating ring in the CA2+-free state

6O7A · Ion channel castor: “Crystal structure of the ljcastor gating ring in the CA2+-free state”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #158877 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6O7A
Type: protein
Length: 2,024 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ion channel castor
UniProt: Q5H8A6
Pockets: 20 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 35% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Ion channel castor	protein	506	35% helix, 19% strand	Q5H8A6
B	Ion channel castor	protein	505	35% helix, 23% strand	Q5H8A6
D	Ion channel castor	protein	507	35% helix, 22% strand	Q5H8A6

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	1126	0.76	0.78	114	empty
2	158	0.75	0.93	27	empty
3	1098	0.75	0.78	100	empty
4	821	0.75	0.79	67	empty
5	520	0.74	0.82	67	empty

Interfaces

4 interfaces between chains.

A–D · 1139 Å² buried · 5 hydrogen bonds · protein-protein
C–B · 1101 Å² buried · 2 hydrogen bonds · protein-protein
B–D · 1006 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 779 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6O7A · Crystal structure of the LjCASTOR gating ring in the Ca2+-free state · the same entry in another collection · chain D against D, TM-score 1.00
Q5H8A6 · AlphaFold monomer V2.0 prediction for ion channel castor (Q5H8A6) · a predicted model of the same protein · chain C against A, TM-score 0.96

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 Q5H8A6
Elsewhere: RCSB PDB 6O7A · PDBe 6O7A · UniProt Q5H8A6

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