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Structure of the kcsa-G77A mutant or the 2,4-ion bound configuration of a K+ channel selectivity filter.

Analyse Structure of the kcsa-G77A mutant or the 2,4-ion bound configuration of a K+… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6NFU
Type: protein
Length: 534 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Antibody fragment heavy chain; Antibody fragment light chain; PH-gated potassium channel…
UniProt: P0A334
Ligands: F09, 1EM, K
Pockets: 5 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 18% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Antibody fragment heavy chain	protein	219	3% helix, 51% strand	—
B	Antibody fragment light chain	protein	212	7% helix, 51% strand	—
C	PH-gated potassium channel kcsa	protein	103	75% helix, 0% strand	P0A334

Ligands and binding sites

F09 · Nonan-1-ol · ligand · chains A, C
1EM · (1S)-2-hydroxy-1-[(nonanoyloxy)methyl]ethyl myristate · ligand · chains C
K · Potassium ion · metal · 4 copies · chains C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	720	0.69	0.76	56	empty
2	162	0.49	0.77	31	empty
3	70	0.48	0.84	16	empty
4	64	0.44	0.83	21	empty
5	70	0.30	0.73	16	empty

Interfaces

3 interfaces between chains.

A–B · 1820 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 486 Å² buried · 8 hydrogen bonds · protein-protein
B–C · 405 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

6NFU · Structure of the KcsA-G77A mutant or the 2,4-ion bound configuration of a K+ channel… · the same entry in another collection · chain A against A, 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 P0A334
Elsewhere: RCSB PDB 6NFU · PDBe 6NFU · UniProt P0A334

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