MolNFT v1 · #189617 · protein

Structure of human KCNQ4-ML213 complex in nanodisc

7VNQ · Potassium voltage-gated channel subfamily kqt member 4…: “Structure of human KCNQ4-ML213 complex in nanodisc”. Electron microscopy, 2 ligands (7YV, K), 20 pockets (best druggability 0.85). MolNFT v1 #189617 on GenesisL1: 3D…

PDB: 7VNQ
Type: protein
Length: 1,920 residues
Chains: 8
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Potassium voltage-gated channel subfamily kqt member 4, maltodextrin-binding protein…
UniProt: P56696, P0DP25
Ligands: 7YV, K
Pockets: 20 · best druggability 0.85

Structure

electron microscopy · 2 distinct chains · 72% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G	Potassium voltage-gated channel subfamily kqt member 4, maltodextrin-binding protein	protein	339	77% helix, 0% strand	P56696
B, D, F, H	Calmodulin-3	protein	141	58% helix, 7% strand	P0DP25

Ligands and binding sites

7YV · (1S,2S,4R)-N-(2,4,6-trimethylphenyl) bicyclo[2.2.1]heptane-2-carboxamid · ligand · 4 copies · chains A, C, E, G
K · Potassium ion · metal · 3 copies · chains A, C, E, G

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

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	875	0.85	0.86	110	7YV
2	284	0.78	0.90	31	empty
3	408	0.76	0.85	37	empty
4	1071	0.76	0.78	81	empty
5	434	0.76	0.85	44	empty

Interfaces

18 interfaces between chains.

A–C · 2364 Å² buried · 11 hydrogen bonds · protein-protein
A–G · 2353 Å² buried · 13 hydrogen bonds · protein-protein
E–G · 2326 Å² buried · 10 hydrogen bonds · protein-protein
C–E · 2295 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 2183 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

7VNQ · Structure of human KCNQ4-ML213 complex in nanodisc · the same entry in another collection · chain H against H, TM-score 1.00
P56696 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain E against A, TM-score 0.78

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 P56696
Every structure of UniProt P0DP25
Elsewhere: RCSB PDB 7VNQ · PDBe 7VNQ · UniProt P56696 · UniProt P0DP25

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