Structure of PDB 4ff6 Chain B

Receptor sequence

>4ff6B (length=414) Species: 1773 (Mycobacterium tuberculosis)

TTTATRLTGWGRTAPSVANVLRTPDAEMIVKAVARVAESGRGAIARGLGR
SYGDNAQNGGGLVIDMTPLNTIHSIDADTKLVDIDAGVNLDQLMKAALPF
GLWVPVLPGTRQVTVGGAIACDIHGKNHHSAGSFGNHVRSMDLLTADGEI
RHLTPTGEDAELFWATVGGNGLTGIIMRATIEMTPTSTAYFIADGDVTAS
LDETIALHSDGSEARYTYSSAWFDAISAPPKLGRAAVSRGRLATVEQLPA
KLRSEPLKFDGELWYRKSGTYRGKVQNLTQFYHGFLQYQFVIPTEAVDEF
KKIIGVIQASGHYSFLNVFKLFGPRNQAPLSFPIPGWNICVDFPIKDGLG
KFVSELDRRVLEFGGRLYTAKDSRTTAETFHAMYPRVDEWISVRRKVDPL
RVFASDMARRLELL

3D structure

• PDB: 4ff6 Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
• Chain: B
• Resolution: 2.6 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 R54 G55 L56 G57 R58 S59 Y60 N63 A64 P116 G117 T118 V121 T122 G124 G125 A128 C129 I131 H132 N178 G179 I184 Y415	W10 A45 R46 G47 L48 G49 R50 S51 Y52 N55 A56 P108 G109 T110 V113 T114 G116 G117 A120 C121 I123 H124 N170 G171 I176 Y368
BS02	0T4	B	G133 Q336 C387	G125 Q289 C340

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:4ff6, PDBe:4ff6, PDBj:4ff6
• PDBsum: 4ff6
• PubMed: 22733761
• UniProt: P9WJF1|DPRE1_MYCTU Decaprenylphosphoryl-beta-D-ribose oxidase (Gene Name=dprE1)