MolNFT v1 · #27486 · protein

Intermediate gating structure 2 of the inwardly rectifying K+ channel KIRBAC3.1

1XL6 · Inward rectifier potassium channel: “Intermediate gating structure 2 of the inwardly rectifying K+ channel KIRBAC3.1”. X-ray diffraction, 3 ligands (SPM, K, MG), 6 pockets (best druggability 0.78). MolNFT v1 #27486 on GenesisL1: 3D…

PDB: 1XL6
Type: protein
Length: 582 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inward rectifier potassium channel
Ligands: SPM, K, MG
Pockets: 6 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Inward rectifier potassium channel	protein	291	27% helix, 29% strand	—

Ligands and binding sites

SPM · Spermine · ligand · chains A, B
K · Potassium ion · metal · 7 copies · chains A, B
MG · Magnesium ion · metal · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	507	0.78	0.85	47	empty
2	225	0.59	0.80	29	empty
3	253	0.56	0.76	30	empty
4	240	0.52	0.76	40	empty
5	139	0.44	0.76	18	empty

Interfaces

1 interface between chains.

A–B · 2622 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

1XL6 · Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1 · 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
Elsewhere: RCSB PDB 1XL6 · PDBe 1XL6

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