Structure of PDB 4d41 Chain G

Receptor sequence

>4d41G (length=255) Species: 1280 (Staphylococcus aureus)

VNLENKTYVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKL
LEQLNQPEAHLYQIDVQSDEEVINGFEQIGKDVGNIDGVYHSIAFANMED
LRGRFSETSREGFLLAQDISSYSLTIVAHEAKKLMPEGGSIVATTYLGGE
FAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAISAGPIRTLSAKGV
GGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHVDSG
FHAIK

3D structure

• PDB: 4d41 An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction.
• Chain: G
• 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): Y146 Y156 M159 K163 K198
• 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	G	G203 F204 N205 T206	G202 F203 N204 T205
BS02	JA1	G	F96 A97 L102 Y147 Y157 M160 S197 V201 I207	F95 A96 L101 Y146 Y156 M159 S196 V200 I206	MOAD: Ki=0.05nM
BS03	NAP	G	G13 I14 A15 S19 I20 R40 K41 S44 D66 S93 I94 A95 I120 T145 T146 K164 P192 I193 T195 S197	G12 I13 A14 S18 I19 R39 K40 S43 D65 S92 I93 A94 I119 T144 T145 K163 P191 I192 T194 S196

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