MolNFT v1 · #143748 · protein

Crystal structure of the MG2+/CAM:KV7.5 (KCNQ5) ab domain complex

6B8Q · Potassium voltage-gated channel subfamily kqt member 5: “Crystal structure of the MG2+/CAM:KV7.5 (KCNQ5) ab domain complex”. X-ray diffraction, 1 ligand (MG), 13 pockets (best druggability 0.76). MolNFT v1 #143748 on GenesisL1: 3D…

PDB: 6B8Q
Type: protein
Length: 827 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Potassium voltage-gated channel subfamily kqt member 5; Calmodulin-1
UniProt: Q9NR82, P0DP23
Ligands: MG
Pockets: 13 · best druggability 0.76

Structure

x-ray diffraction · 7 distinct chains · 60% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Potassium voltage-gated channel subfamily kqt member 5	protein	62	63% helix, 0% strand	Q9NR82
B, H	Calmodulin-1	protein	146	56% helix, 7% strand	P0DP23
C	Potassium voltage-gated channel subfamily kqt member 5	protein	60	65% helix, 0% strand	Q9NR82
D	Calmodulin-1	protein	143	57% helix, 6% strand	P0DP23
E	Potassium voltage-gated channel subfamily kqt member 5	protein	60	63% helix, 0% strand	Q9NR82
F	Calmodulin-1	protein	144	57% helix, 6% strand	P0DP23
G	Potassium voltage-gated channel subfamily kqt member 5	protein	66	67% helix, 0% strand	Q9NR82

Ligands and binding sites

MG · Magnesium ion · metal · 15 copies · chains B, D, H, F

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

Pockets

13 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	927	0.76	0.79	89	empty
2	708	0.71	0.78	90	empty
3	272	0.69	0.84	46	empty
4	93	0.56	0.86	24	empty
5	147	0.55	0.81	18	empty

Interfaces

14 interfaces between chains.

G–H · 2270 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 2260 Å² buried · 26 hydrogen bonds · protein-protein
C–D · 2193 Å² buried · 21 hydrogen bonds · protein-protein
E–F · 2093 Å² buried · 11 hydrogen bonds · protein-protein
B–H · 611 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

6B8Q · Crystal Structure of the Mg2+/CaM:Kv7.5 (KCNQ5) AB domain complex · the same entry in another collection · chain H against H, TM-score 1.00
Q9NR82 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain G against A, TM-score 0.90
P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain B against A, TM-score 0.55

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 Q9NR82
Every structure of UniProt P0DP23
Elsewhere: RCSB PDB 6B8Q · PDBe 6B8Q · UniProt Q9NR82 · UniProt P0DP23

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