Structure of PDB 5oep Chain B

Receptor sequence

>5oepB (length=416) Species: 83332 (Mycobacterium tuberculosis H37Rv)

TTTATRLTGWGRTAPSVANVLRTPDAEMIVKAVARVAESGGGRGAIARGL
GRSYGDNAQNGGGLVIDMTPLNTIHSIDADTKLVDIDAGVNLDQLMKAAL
PFGLWVPVLPGTRQVTVGGAIACDIHGKNHHSAGSFGNHVRSMDLLTADG
EIRHLTPTGEDAELFWATVGGNGLTGIIMRATIEMTPTSTAYFIADGDVT
ASLDETIALHSDGSEARYTYSSAWFDAISAPPKLGRAAVSRGRLATVEQL
PAKLRSEPLKFDAELWYRKSGTYRGKVQNLTQFYHGFLQYQFVIPTEAVD
EFKKIIGVIQASGHYSFLNVFKLFGPRNQAPLSFPIPGWNICVDFPIKDG
LGKFVSELDRRVLEFGGRLYTAKDSRTTAETFHAMYPRVDEWISVRRKVD
PLRVFASDMARRLELL

3D structure

• PDB: 5oep Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
• Chain: B
• Resolution: 2.35 Å

Enzymatic activity

• Enzyme Commision number: 1.1.98.3: decaprenylphospho-beta-D-ribofuranose 2-dehydrogenase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	FAD	B	W16 A53 G55 L56 G57 R58 S59 Y60 N63 A64 P116 G117 T118 T122 G124 G125 A128 C129 I131 H132 N178 G179 I184 Y415	W10 A47 G49 L50 G51 R52 S53 Y54 N57 A58 P110 G111 T112 T116 G118 G119 A122 C123 I125 H126 N172 G173 I178 Y370
BS02	9T2	B	Y60 H132 S228 Y314 V365 K367 K418	Y54 H126 S222 Y284 V320 K322 K373

Gene Ontology

Molecular Function

• GO:0003885 D-arabinono-1,4-lactone oxidase activity
• GO:0016491 oxidoreductase activity
• GO:0050660 flavin adenine dinucleotide binding
• GO:0071949 FAD binding

Biological Process

• GO:0035884 arabinan biosynthetic process
• GO:0045227 capsule polysaccharide biosynthetic process
• GO:0046677 response to antibiotic
• GO:0070592 cell wall polysaccharide biosynthetic process
• GO:0071555 cell wall organization

Cellular Component

• GO:0005886 plasma membrane
• GO:0016020 membrane
• GO:0042597 periplasmic space

External links

• PDB: RCSB:5oep, PDBe:5oep, PDBj:5oep
• PDBsum: 5oep
• PubMed: 28815830
• UniProt: P9WJF1|DPRE1_MYCTU Decaprenylphosphoryl-beta-D-ribose oxidase (Gene Name=dprE1)