MolNFT v1 · #69706 · protein

Crystal structure of the P1 domain of CHEA3 in complex with CHEY6 from R. sphaeroides

3KYJ · Putative histidine protein kinase: “Crystal structure of the P1 domain of CHEA3 in complex with CHEY6 from R. sphaeroides”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.57). MolNFT v1 #69706 on GenesisL1: 3D…

PDB: 3KYJ
Type: protein
Length: 258 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative histidine protein kinase; CHEY6 protein
UniProt: Q8KLS0, Q8KLS1
Ligands: NA
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative histidine protein kinase	protein	129	84% helix, 0% strand	Q8KLS0
B	CHEY6 protein	protein	129	38% helix, 22% strand	Q8KLS1

Ligands and binding sites

NA · Sodium ion · metal · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	116	0.57	0.84	28	empty
2	63	0.54	0.87	17	empty

Interfaces

1 interface between chains.

A–B · 561 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3KYJ · Crystal structure of the P1 domain of CheA3 in complex with CheY6 from R. sphaeroides · 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 Q8KLS0
Every structure of UniProt Q8KLS1
Elsewhere: RCSB PDB 3KYJ · PDBe 3KYJ · UniProt Q8KLS0 · UniProt Q8KLS1

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