MolNFT v1 · #155851 · protein

Two-component system protein mediate signal transduction

6LKG · Sensor protein kinase hpts: “Two-component system protein mediate signal transduction”. X-ray diffraction, 1 ligand (G6P), 14 pockets (best druggability 0.68). MolNFT v1 #155851 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6LKG
Type: protein
Length: 929 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sensor protein kinase hpts; ABC transporter, solute-binding protein
EC: 2.7.13.3
UniProt: Q2G1E0, X5DVD1
Ligands: G6P
Pockets: 14 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Sensor protein kinase hpts (EC 2.7.13.3)	protein	170	35% helix, 32% strand	Q2G1E0
A, C	ABC transporter, solute-binding protein	protein	294	42% helix, 20% strand	X5DVD1
D	Sensor protein kinase hpts (EC 2.7.13.3)	protein	171	35% helix, 33% strand	Q2G1E0

Ligands and binding sites

G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 2 copies · chains A, C

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

Pockets

14 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	98	0.68	0.92	21	G6P
2	106	0.66	0.89	20	G6P
3	185	0.53	0.78	29	empty
4	103	0.51	0.82	22	empty
5	63	0.45	0.83	22	empty

Interfaces

5 interfaces between chains.

B–C · 604 Å² buried · 9 hydrogen bonds · protein-protein
A–D · 598 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 358 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 327 Å² buried · 8 hydrogen bonds · protein-protein
B–A · 306 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

6LKG · two-component system protein mediate signal transduction · the same entry in another collection · chain B against B, 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 Q2G1E0
Every structure of UniProt X5DVD1
Elsewhere: RCSB PDB 6LKG · PDBe 6LKG · UniProt Q2G1E0 · UniProt X5DVD1

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