MolNFT v1 · #113882 · protein

The ligand binding domain of MLP37 with taurine

5AVF · Methyl-accepting chemotaxis (mcp) signaling domain protein: “The ligand binding domain of MLP37 with taurine”. X-ray diffraction, 1 ligand (TAU), 6 pockets (best druggability 0.48). MolNFT v1 #113882 on GenesisL1: 3D structure…

PDB: 5AVF
Type: protein
Length: 488 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methyl-accepting chemotaxis (mcp) signaling domain protein
UniProt: A0A085T373
Ligands: TAU
Pockets: 6 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Methyl-accepting chemotaxis (mcp) signaling domain protein	protein	244	37% helix, 27% strand	A0A085T373

Ligands and binding sites

TAU · 2-aminoethanesulfonic acid · ligand · 2 copies · chains A, B

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

Pockets

6 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	247	0.48	0.73	23	empty
2	75	0.43	0.79	14	empty
3	70	0.38	0.78	14	empty
4	62	0.34	0.77	12	empty
5	59	0.30	0.75	16	empty

Interfaces

1 interface between chains.

A–B · 560 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

5AVF · The ligand binding domain of Mlp37 with taurine · 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 A0A085T373
Elsewhere: RCSB PDB 5AVF · PDBe 5AVF · UniProt A0A085T373

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