MolNFT v1 · #139917 · protein

The ligand-free dimer of chemoreceptor MCP2201 ligand binding domain

5XUA · Methyl-accepting chemotaxis sensory transducer: “The ligand-free dimer of chemoreceptor MCP2201 ligand binding domain”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #139917 on GenesisL1: 3D structure, binding…

PDB: 5XUA
Type: protein
Length: 1,101 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methyl-accepting chemotaxis sensory transducer
UniProt: D0IVL9
Pockets: 20 · best druggability 0.84

Structure

x-ray diffraction · 6 distinct chains · 87% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methyl-accepting chemotaxis sensory transducer	protein	142	88% helix, 0% strand	D0IVL9
B, D, E	Methyl-accepting chemotaxis sensory transducer	protein	137	88% helix, 0% strand	D0IVL9
C	Methyl-accepting chemotaxis sensory transducer	protein	138	86% helix, 0% strand	D0IVL9
F	Methyl-accepting chemotaxis sensory transducer	protein	136	88% helix, 0% strand	D0IVL9
G	Methyl-accepting chemotaxis sensory transducer	protein	139	86% helix, 0% strand	D0IVL9
H	Methyl-accepting chemotaxis sensory transducer	protein	135	86% helix, 0% strand	D0IVL9

Pockets

20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1125	0.84	0.85	84	empty
2	971	0.84	0.85	75	empty
3	883	0.77	0.80	66	empty
4	663	0.73	0.80	58	empty
5	282	0.61	0.79	23	empty

Interfaces

13 interfaces between chains.

G–H · 1350 Å² buried · 24 hydrogen bonds · protein-protein
A–B · 1289 Å² buried · 25 hydrogen bonds · protein-protein
E–F · 1283 Å² buried · 24 hydrogen bonds · protein-protein
C–D · 1191 Å² buried · 21 hydrogen bonds · protein-protein
C–H · 735 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

5XUA · The ligand-free dimer of chemoreceptor MCP2201 ligand binding domain · 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 D0IVL9
Elsewhere: RCSB PDB 5XUA · PDBe 5XUA · UniProt D0IVL9

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