MolNFT v1 · #155853 · protein

Two-component system protein mediate signal transduction

6LKI · ABC transporter, solute-binding protein: “Two-component system protein mediate signal transduction”. X-ray diffraction, 3 pockets (best druggability 0.76). MolNFT v1 #155853 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6LKI
Type: protein
Length: 464 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ABC transporter, solute-binding protein; Sensor protein kinase hpts
EC: 2.7.13.3
UniProt: X5DVD1, Q2G1E0
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ABC transporter, solute-binding protein	protein	294	41% helix, 20% strand	X5DVD1
B	Sensor protein kinase hpts (EC 2.7.13.3)	protein	170	37% helix, 33% strand	Q2G1E0

Ligands and binding sites

MLA · Malonic acid · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1124	0.76	0.79	79	MLA
2	256	0.60	0.80	37	empty
3	162	0.54	0.80	36	empty

Interfaces

1 interface between chains.

A–B · 667 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6LKI · Two-component system protein mediate signal transduction · the same entry in another collection · chain A against A, TM-score 1.00
Q2G1E0 · AlphaFold monomer V2.0 prediction for sensor protein kinase hpts (Q2G1E0) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 X5DVD1
Every structure of UniProt Q2G1E0
Elsewhere: RCSB PDB 6LKI · PDBe 6LKI · UniProt X5DVD1 · UniProt Q2G1E0

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