MolNFT v1 · #90396 · protein

Crystal structures of mthk rck gating ring bound to barium

4EI2 · Calcium-gated potassium channel mthk: “Crystal structures of mthk rck gating ring bound to barium”. X-ray diffraction, 1 ligand (BA), 20 pockets (best druggability 0.80). MolNFT v1 #90396 on GenesisL1: 3D structure, binding sites…

PDB: 4EI2
Type: protein
Length: 3,570 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Calcium-gated potassium channel mthk
UniProt: O27564
Ligands: BA
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 5 distinct chains · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E, F, H	Calcium-gated potassium channel mthk	protein	223	39% helix, 22% strand	O27564
B, I, L	Calcium-gated potassium channel mthk	protein	222	39% helix, 23% strand	O27564
C, J, K, M, N	Calcium-gated potassium channel mthk	protein	224	38% helix, 22% strand	O27564
D, G	Calcium-gated potassium channel mthk	protein	225	40% helix, 22% strand	O27564
O, P	Calcium-gated potassium channel mthk	protein	221	38% helix, 22% strand	O27564

Ligands and binding sites

BA · Barium ion · metal · 57 copies · chains A, H, B, C, D, E, F, G, I, J, K, L, M, N, O, P

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

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	850	0.80	0.82	62	BA
2	735	0.77	0.82	64	empty
3	473	0.76	0.84	35	empty
4	514	0.75	0.83	35	empty
5	464	0.75	0.84	33	empty

Interfaces

35 interfaces between chains.

J–K · 3755 Å² buried · 56 hydrogen bonds · protein-protein
L–M · 3742 Å² buried · 55 hydrogen bonds · protein-protein
F–G · 3721 Å² buried · 52 hydrogen bonds · protein-protein
N–O · 3713 Å² buried · 59 hydrogen bonds · protein-protein
I–P · 3707 Å² buried · 60 hydrogen bonds · protein-protein

Compared structures

4EI2 · Crystal Structures of MthK RCK gating ring bound to Barium · the same entry in another collection · chain L against L, TM-score 1.00

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 O27564
Elsewhere: RCSB PDB 4EI2 · PDBe 4EI2 · UniProt O27564

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