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MolNFT v1 · #146217 · protein

2.0 ångström resolution crystal structure of N-terminal ligand-binding domain of putative methyl-accepting chemotaxis protein from salmonella enterica

6DB1: “2.0 ångström resolution crystal structure of N-terminal ligand-binding domain of putative methyl-accepting…”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.68). MolNFT v1 #146217 on GenesisL1: 3D structure…

PDB
6DB1
Type
protein
Length
272 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative methyl-accepting chemotaxis protein
UniProt
Q8ZM14
Ligands
CL
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 85% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative methyl-accepting chemotaxis proteinprotein13784% helix, 0% strandQ8ZM14
BPutative methyl-accepting chemotaxis proteinprotein13585% helix, 0% strandQ8ZM14

Ligands and binding sites

  • CL · Chloride ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15420.680.7846empty
22200.610.8136empty
31010.400.7719empty

Interfaces

1 interface between chains.

  • A–B · 896 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

  • 6DB1 · 2.0 Angstrom Resolution Crystal Structure of N-Terminal Ligand-Binding Domain of Putative… · the same entry in another collection · chain A against A, TM-score 1.00

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