MolNFT v1 · #114610 · protein

Crystal structure of inactive conformation of ktrab K+ transporter

5BUT · Ktr system potassium uptake protein A,KTR system potassium…: “Crystal structure of inactive conformation of ktrab K+ transporter”. X-ray diffraction, 1 ligand (K), 20 pockets (best druggability 0.84). MolNFT v1 #114610 on GenesisL1…

PDB: 5BUT
Type: protein
Length: 2,796 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ktr system potassium uptake protein A,KTR system potassium uptake protein a; Ktr system…
UniProt: O32080, O32081
Ligands: K
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G	Ktr system potassium uptake protein A,KTR system potassium uptake protein a	protein	268	46% helix, 16% strand	O32080
I, J, K, L	Ktr system potassium uptake protein B	protein	431	47% helix, 1% strand	O32081

Ligands and binding sites

K · Potassium ion · metal · 4 copies · chains I, J, K, L

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	843	0.84	0.85	84	empty
2	898	0.84	0.85	83	empty
3	127	0.78	0.97	23	empty
4	130	0.78	0.96	27	empty
5	121	0.77	0.97	25	empty

Interfaces

17 interfaces between chains.

I–J · 3914 Å² buried · 31 hydrogen bonds · protein-protein
K–L · 3827 Å² buried · 39 hydrogen bonds · protein-protein
A–C · 825 Å² buried · 10 hydrogen bonds · protein-protein
E–G · 795 Å² buried · 6 hydrogen bonds · protein-protein
C–G · 659 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5BUT · Crystal structure of inactive conformation of KtrAB K+ transporter · the same entry in another collection · chain L against L, TM-score 1.00
O32081 · AlphaFold monomer V2.0 prediction for ktr system potassium uptake protein B (O32081) · a predicted model of the same protein · chain I against A, TM-score 0.99
O32080 · AlphaFold monomer V2.0 prediction for ktr system potassium uptake protein a (O32080) · a predicted model of the same protein · chain A against A, TM-score 0.48

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 O32080
Every structure of UniProt O32081
Elsewhere: RCSB PDB 5BUT · PDBe 5BUT · UniProt O32080 · UniProt O32081

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