Structure of PDB 3rcb Chain A

Receptor sequence

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

NPIRVGVIGCADIAWRRALPALEAEPLTEVTAIASRRWDRAKRFTERFGG
EPVEGYPALLERDDVDAVYVPLPAVLHAEWIDRALRAGKHVLAEEPLTTD
RPQAERLFAVARERGLLLMENFMFLHHPQHRQVADMLDEGVIGEIRSFAA
SFTIPPVGGGALLDIGVYPIRAAGLFLGADLEFVGAVLRHERDRDVVVGG
NALLTTRQGVTAQLTFGMEHAYTNNYEFRGSTGRLWMNRVFTPPATYQPV
VHIERQDHAEQFVLPAHDQFAKSIRAFAQAVLSGEHPREWSEDSLRQASL
VDAVRTGARDIYFP

3D structure

• PDB: 3rcb Combined Structural and Functional Investigation of a C-3''-Ketoreductase Involved in the Biosynthesis of dTDP-l-Digitoxose.
• Chain: A
• Resolution: 2.49 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): E102 Y186
• Catalytic site (residue number reindexed from 1): E95 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	G16 C17 A18 D19 I20 S42 R43 Y63 P78 L79 P80 L83 H84 E102 V175 D182 Y186	G9 C10 A11 D12 I13 S35 R36 Y56 P71 L72 P73 L76 H77 E95 V157 D164 Y168
BS02	PO4	A	H285 K290	H267 K272
BS03	TLO	A	R23 R24 F159 P162 Y186 Y240 T260	R16 R17 F152 P155 Y168 Y222 T242
BS04	TLO	A	L132 H133 H137 R138 A141 R189 L193 E307 W308 D311	L125 H126 H130 R131 A134 R171 L175 E289 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:3rcb, PDBe:3rcb, PDBj:3rcb
• PDBsum: 3rcb
• PubMed: 21598943
• UniProt: B3TMR8|KIJDR_ACTKI dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 3-reductase (Gene Name=KijD10)