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Crystal structure of TleB with hydroxyl analog

Analyse Crystal structure of TleB with hydroxyl analog in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6J84
Type: protein
Length: 392 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2
Source: Streptomyces blastmyceticus
Molecule: Cytochrome P-450
UniProt: A0A077KEB8
Ligands: HEM, B9U
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · resolution 2 · 1 distinct chain · 54% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cytochrome P-450	protein	392	54% helix, 10% strand	A0A077KEB8

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · chains A
B9U · (2S)-2-hydroxy-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl) propan-2-yl]-3-methylbutanamide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	598	0.86	0.91	67	HEM, B9U
2	87	0.45	0.80	22	empty
3	108	0.36	0.74	18	empty

Compared structures

6J84 · Crystal structure of tleb with hydroxyl analog · 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 A0A077KEB8
Elsewhere: RCSB PDB 6J84 · PDBe 6J84 · UniProt A0A077KEB8

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