MolNFT v1 · #129411 · protein

Imine reductase from aspergillus terreus in complex with NADPH4 and DIBENZ[C,E]AZEPINE

5OJL: “Imine reductase from aspergillus terreus in complex with NADPH4 and DIBENZ[C,E]AZEPINE”. X-ray diffraction, 2 ligands (9X5, TXP), 3 pockets (best druggability 0.51). MolNFT v1 #129411 on GenesisL1: 3D structure, binding sites and…

PDB: 5OJL
Type: protein
Length: 284 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Imine reductase
UniProt: Q0CCT3
Ligands: 9X5, TXP
Pockets: 3 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Imine reductase	protein	284	55% helix, 13% strand	Q0CCT3

Ligands and binding sites

9X5 · 5-methyl-7~{H}-benzo[d][2]benzazepine · ligand · chains A
TXP · 1,4,5,6-tetrahydronicotinamide adenine dinucleotide phosphate · 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	283	0.51	0.73	32	empty
2	126	0.38	0.74	27	TXP
3	63	0.30	0.74	17	empty

Compared structures

5OJL · Imine Reductase from Aspergillus terreus in complex with NADPH4 and dibenz[c,e]azepine · 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 Q0CCT3
Elsewhere: RCSB PDB 5OJL · PDBe 5OJL · UniProt Q0CCT3

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