MolNFT v1 · #102504 · protein

2.8 ångström crystal structure of sensor domain of histidine kinase from clostridium perfringens.

4ONX · Sensor histidine kinase: “2.8 ångström crystal structure of sensor domain of histidine kinase from clostridium perfringens.”. X-ray diffraction, 3 ligands (ZN, SO4, CL), 5 pockets (best druggability 0.53). MolNFT v1 #102504 on…

PDB: 4ONX
Type: protein
Length: 765 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sensor histidine kinase
UniProt: Q0TTS5
Ligands: ZN, SO4, CL
Pockets: 5 · best druggability 0.53

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Sensor histidine kinase	protein	128	40% helix, 32% strand	Q0TTS5
B	Sensor histidine kinase	protein	125	42% helix, 33% strand	Q0TTS5
D	Sensor histidine kinase	protein	126	44% helix, 33% strand	Q0TTS5
E, F	Sensor histidine kinase	protein	129	40% helix, 31% strand	Q0TTS5

Ligands and binding sites

ZN · Zinc ion · metal · 3 copies · chains A, C, B, F, D, E
SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D, E, F
CL · Chloride ion · ion · 3 copies · chains A, B, 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	266	0.53	0.76	33	empty
2	103	0.39	0.76	13	SO4
3	68	0.35	0.77	15	empty
4	77	0.35	0.76	12	empty
5	75	0.32	0.75	15	SO4

Interfaces

6 interfaces between chains.

C–D · 2455 Å² buried · 35 hydrogen bonds · protein-protein
A–B · 2448 Å² buried · 38 hydrogen bonds · protein-protein
E–F · 2269 Å² buried · 36 hydrogen bonds · protein-protein
B–F · 830 Å² buried · 15 hydrogen bonds · protein-protein
D–E · 823 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 36 modified (engineered).

Compared structures

4ONX · 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase from Clostridium… · 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 Q0TTS5
Elsewhere: RCSB PDB 4ONX · PDBe 4ONX · UniProt Q0TTS5

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