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Crystal structure of the aromatic sensor domain of mopr in complex with ocresol

Analyse Crystal structure of the aromatic sensor domain of mopr in complex with ocresol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5KBG
Type: protein
Length: 405 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mopr
UniProt: Q43965
Ligands: JZ0, ZN
Pockets: 6 · best druggability 0.45

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mopr	protein	203	50% helix, 23% strand	Q43965
B	Mopr	protein	202	50% helix, 24% strand	Q43965

Ligands and binding sites

JZ0 · o-cresol · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 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	88	0.45	0.80	20	empty
2	59	0.37	0.79	15	empty
3	64	0.37	0.78	15	empty
4	67	0.35	0.77	17	empty
5	71	0.35	0.76	13	empty

Interfaces

1 interface between chains.

A–B · 2413 Å² buried · 34 hydrogen bonds · protein-protein

Compared structures

5KBG · Crystal structure of the aromatic sensor domain of mopr in complex with ocresol · the same entry in another collection · chain A against A, TM-score 1.00
Q43965 · AlphaFold monomer V2.0 prediction for phenol regulator mopr (Q43965) · a predicted model of the same protein · chain A against A, TM-score 0.91

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 Q43965
Elsewhere: RCSB PDB 5KBG · PDBe 5KBG · UniProt Q43965

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