MolNFT v1 · #12622 · protein

Crystal structure of an E.COLI chemotaxis protein, chez

1KMI · Chemotaxis protein chey: “Crystal structure of an E.COLI chemotaxis protein, chez”. X-ray diffraction, 3 ligands (BEF, BCN, MG), 2 pockets (best druggability 0.42). MolNFT v1 #12622 on GenesisL1: 3D structure, binding sites and…

PDB: 1KMI
Type: protein
Length: 305 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chemotaxis protein chey; Chemotaxis protein chez
UniProt: P06143, P0A9H9
Ligands: BEF, BCN, MG
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
Y	Chemotaxis protein chey	protein	128	44% helix, 16% strand	P06143
Z	Chemotaxis protein chez	protein	177	78% helix, 0% strand	P0A9H9

Ligands and binding sites

BEF · Beryllium trifluoride ion · ligand · chains Y, Z
BCN · Bicine · ligand · chains Z
MG · Magnesium ion · metal · chains Y, Z

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	120	0.42	0.76	19	empty
2	89	0.37	0.76	15	BEF

Interfaces

1 interface between chains.

Y–Z · 1035 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

1KMI · Crystal structure of an E.COLI chemotaxis protein, chez · the same entry in another collection · chain Y against Y, TM-score 1.00
P0A9H9 · AlphaFold monomer V2.0 prediction for protein phosphatase chez (P0A9H9) · a predicted model of the same protein · chain Z against A, TM-score 0.89

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 P06143
Every structure of UniProt P0A9H9
Elsewhere: RCSB PDB 1KMI · PDBe 1KMI · UniProt P06143 · UniProt P0A9H9

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