MolNFT v1 · #143743 · protein

Crystal structure of the APO/CAM:KV7.4 (KCNQ4) ab domain complex

6B8L · Potassium voltage-gated channel subfamily kqt member 4: “Crystal structure of the APO/CAM:KV7.4 (KCNQ4) ab domain complex”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.76). MolNFT v1 #143743 on GenesisL1: 3D…

PDB: 6B8L
Type: protein
Length: 858 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Potassium voltage-gated channel subfamily kqt member 4; Calmodulin-1
UniProt: P56696, P0DP23
Ligands: SO4
Pockets: 10 · best druggability 0.76

Structure

x-ray diffraction · 5 distinct chains · 67% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Potassium voltage-gated channel subfamily kqt member 4	protein	68	75% helix, 0% strand	P56696
B, D, F	Calmodulin-1	protein	145	58% helix, 7% strand	P0DP23
C	Potassium voltage-gated channel subfamily kqt member 4	protein	70	80% helix, 0% strand	P56696
G	Potassium voltage-gated channel subfamily kqt member 4	protein	71	82% helix, 0% strand	P56696
H	Calmodulin-1	protein	146	58% helix, 7% strand	P0DP23

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains C, D, F, E, G, H, A, B

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

Pockets

10 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	586	0.76	0.82	56	SO4
2	586	0.74	0.81	55	SO4
3	301	0.71	0.85	62	SO4
4	150	0.64	0.86	35	empty
5	113	0.61	0.86	22	empty

Interfaces

17 interfaces between chains.

G–H · 2138 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 2084 Å² buried · 28 hydrogen bonds · protein-protein
E–F · 2055 Å² buried · 18 hydrogen bonds · protein-protein
C–D · 2053 Å² buried · 25 hydrogen bonds · protein-protein
B–H · 866 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6B8L · Crystal Structure of the Apo/CaM:Kv7.4 (KCNQ4) AB Domain Complex · the same entry in another collection · chain H against H, TM-score 1.00
P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain F against A, TM-score 0.54

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 P0DP23
Elsewhere: RCSB PDB 6B8L · PDBe 6B8L · UniProt P56696 · UniProt P0DP23

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