MolNFT v1 · #187537 · protein

Structure of shaker-W434F

7SJ1 · Potassium voltage-gated channel protein shaker: “Structure of shaker-W434F”. Electron microscopy, 2 ligands (POV, K), 15 pockets (best druggability 0.80). MolNFT v1 #187537 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7SJ1
Type: protein
Length: 784 residues
Chains: 4
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Potassium voltage-gated channel protein shaker
UniProt: P08510
Ligands: POV, K
Pockets: 15 · best druggability 0.80

Structure

electron microscopy · 1 distinct chain · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Potassium voltage-gated channel protein shaker	protein	196	79% helix, 0% strand	P08510

Ligands and binding sites

POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 32 copies · chains A, B, C, D
K · Potassium ion · metal · 2 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	853	0.80	0.83	40	empty
2	359	0.62	0.77	38	POV
3	343	0.61	0.77	41	POV
4	313	0.60	0.77	31	POV
5	329	0.59	0.76	33	POV

Interfaces

4 interfaces between chains.

C–D · 1644 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 1643 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 1642 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 1638 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

7SJ1 · Structure of shaker-W434F · the same entry in another collection · chain A against A, TM-score 1.00
P08510 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel protein shaker… · a predicted model of the same protein · chain A against A, TM-score 0.94

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 P08510
Elsewhere: RCSB PDB 7SJ1 · PDBe 7SJ1 · UniProt P08510

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