MolNFT v1 · #187531 · protein

Structure of shaker-ir

7SIP · Potassium voltage-gated channel protein shaker: “Structure of shaker-ir”. Electron microscopy, 2 ligands (POV, K), 18 pockets (best druggability 0.80). MolNFT v1 #187531 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7SIP
Type: protein
Length: 892 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: 18 · best druggability 0.80

Structure

electron microscopy · 1 distinct chain · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Potassium voltage-gated channel protein shaker	protein	223	75% 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, C, B, D
K · Potassium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

18 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	964	0.80	0.81	42	K
2	447	0.63	0.76	45	POV
3	337	0.62	0.78	29	POV
4	364	0.62	0.77	28	POV
5	375	0.62	0.77	30	POV

Interfaces

6 interfaces between chains.

C–D · 1748 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 1737 Å² buried · 6 hydrogen bonds · protein-protein
B–D · 1735 Å² buried · 6 hydrogen bonds · protein-protein
A–B · 1735 Å² buried · 6 hydrogen bonds · protein-protein
A–D · 18 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7SIP · Structure of shaker-IR · 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 0.96

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

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