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Crystal structure of the CA2+/CAM:KV7.4 (KCNQ4) ab domain complex, 1 mm CACL2 soak

Analyse Crystal structure of the CA2+/CAM:KV7.4 (KCNQ4) ab domain complex, 1 mm CACL2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6B8M
Type: protein
Length: 881 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: CA, SO4
Pockets: 14 · best druggability 0.74

Structure

x-ray diffraction · 6 distinct chains · 70% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Potassium voltage-gated channel subfamily kqt member 4	protein	78	83% helix, 0% strand	P56696
B, F	Calmodulin-1	protein	145	57% helix, 7% strand	P0DP23
C	Potassium voltage-gated channel subfamily kqt member 4	protein	76	80% helix, 0% strand	P56696
D, H	Calmodulin-1	protein	146	58% helix, 5% strand	P0DP23
E	Potassium voltage-gated channel subfamily kqt member 4	protein	75	83% helix, 0% strand	P56696
G	Potassium voltage-gated channel subfamily kqt member 4	protein	70	83% helix, 0% strand	P56696

Ligands and binding sites

CA · Calcium ion · metal · 6 copies · chains B, D, F, H
SO4 · Sulfate ion · ion · 5 copies · chains C, F, D, E, A, B, G, H

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

Pockets

14 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	0.74	0.82	59	SO4
2	567	0.73	0.81	52	SO4
3	164	0.69	0.88	39	empty
4	118	0.63	0.87	33	empty
5	252	0.58	0.78	31	empty

Interfaces

17 interfaces between chains.

E–F · 2219 Å² buried · 22 hydrogen bonds · protein-protein
G–H · 2201 Å² buried · 22 hydrogen bonds · protein-protein
C–D · 2064 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 2006 Å² buried · 24 hydrogen bonds · protein-protein
B–H · 864 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6B8M · Crystal Structure of the Ca2+/CaM:Kv7.4 (KCNQ4) AB Domain Complex, 1 mM CaCl2 soak · 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 A against A, TM-score 0.67
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 6B8M · PDBe 6B8M · UniProt P56696 · UniProt P0DP23

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