Structure of PDB 4d41 Chain E

Receptor sequence

>4d41E (length=254) Species: 1280 (Staphylococcus aureus)

NLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLL
EQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDL
RGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGEF
AVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGVG
GFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSGF
HAIK

3D structure

• PDB: 4d41 An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
• Chain: E
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): Y147 Y157 M160 K164 K199
• Catalytic site (residue number reindexed from 1): Y145 Y155 M158 K162 K197
• Enzyme Commision number: 1.3.1.39: enoyl-[acyl-carrier-protein] reductase (NADPH, Re-specific).

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	GLU	E	F204 N205	F202 N203
BS02	JA1	E	A95 F96 A97 Y147 Y157 M160 S197 A198 V201 I207	A93 F94 A95 Y145 Y155 M158 S195 A196 V199 I205	MOAD: Ki=0.05nM
BS03	NAP	E	G13 I14 A15 S19 I20 R40 K41 S44 D66 V67 S93 I94 A95 I120 T145 T146 Y147 K164 A190 G191 P192 I193 T195 S197	G11 I12 A13 S17 I18 R38 K39 S42 D64 V65 S91 I92 A93 I118 T143 T144 Y145 K162 A188 G189 P190 I191 T193 S195

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004318 enoyl-[acyl-carrier-protein] reductase (NADH) activity
• GO:0016491 oxidoreductase activity
• GO:0141148 enoyl-[acyl-carrier-protein] reductase (NADPH) activity

Biological Process

• GO:0006633 fatty acid biosynthetic process

External links

• PDB: RCSB:4d41, PDBe:4d41, PDBj:4d41
• PDBsum: 4d41
• PubMed: 25706582
• UniProt: A0A0J9X1X7