Structure of PDB 3rc9 Chain A

Receptor sequence

>3rc9A (length=314) Species: 46161 (Actinomadura kijaniata)

NPIRVGVIGCADIAWRRALPALEAEPLTEVTAIASRRWDRAKRFTERFGG
EPVEGYPALLERDDVDAVYVPLPAVLHAEWIDRALRAGKHVLAEAPLTTD
RPQAERLFAVARERGLLLMENFMFLHHPQHRQVADMLDEGVIGEIRSFAA
SFTIPPVGGGALLDIGVYPIRAAGLFLGADLEFVGAVLRHERDRDVVVGG
NALLTTRQGVTAQLTFGMEHAYTNNYEFRGSTGRLWMNRVFTPPATYQPV
VHIERQDHAEQFVLPAHDQFAKSIRAFAQAVLSGEHPREWSEDSLRQASL
VDAVRTGARDIYFP

3D structure

• PDB: 3rc9 Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
• Chain: A
• Resolution: 1.91 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A102 Y186
• Catalytic site (residue number reindexed from 1): A95 Y168
• Enzyme Commision number: 1.1.1.384: dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 3-reductase.

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	NAP	A	C17 A18 S42 R43 Y63 P78 L79 P80 H84 A102 V175 D182	C10 A11 S35 R36 Y56 P71 L72 P73 H77 A95 V157 D164
BS02	PO4	A	H285 K290	H267 K272
BS03	TLO	A	I20 R23 R24 F159 I161 P162 Y186 Y240 T260	I13 R16 R17 F152 I154 P155 Y168 Y222 T242
BS04	TLO	A	L132 H133 H137 R138 A141 R189 L193 W308 D311	L125 H126 H130 R131 A134 R171 L175 W290 D293

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016491 oxidoreductase activity

Biological Process

• GO:0017000 antibiotic biosynthetic process

External links

• PDB: RCSB:3rc9, PDBe:3rc9, PDBj:3rc9
• PDBsum: 3rc9
• PubMed: 21598943
• UniProt: B3TMR8|KIJDR_ACTKI dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 3-reductase (Gene Name=KijD10)