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1o5i

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1. Protein Summary
2. Ligand Summary
3. References

Molecular Characteristics
Title	Crystal structure of 3-oxoacyl-(acyl carrier protein) reductase (TM1169) from Thermotoga maritima at 2.50 A resolution. To be published
Site	JCSG
PDB Id	1o5i	Target Id	283034
Source	Thermotoga maritima msb8
Alias Ids	TPS1267,TM1169	Molecular Weight	26191.02 Da.
Residues	237	Isoelectric Point	6.05
Sequence	melgirdkgvlvlaasrgigravadvlsqegaevticarneellkrsghryvvcdlrkdldllfekvke vdilvlnaggpkagffdeltnedfkeaidslflnmikivrnylpamkekgwgrivaitsfsvispienl ytsnsarmaltgflktlsfevapygitvncvapgwtetervkellseekkkqvesqipmrrmakpeeia svvaflcsekasyltgqtivvdgglskfpl
	BLAST FFAS

Structure Determination
Method	XRAY	Chains	4
Resolution (Å)	2.50	Rfree	0.2468
Matthews' coefficent	2.54	Rfactor	0.19404
Waters	161	Solvent Content	51.23

Pathway
Reactions found in Metabolic Reconstruction for TM1169
Name: 3-hydroxy-palmetoyl-ACP synthesis Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + myrsACP Name:Myristoyl-ACP (n-C14:0ACP) Formula:C25H47N2O8PRS KEGG: C05761 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> 3hpalmACP Name:R-3-hydroxypalmitoyl-[acyl-carrier protein] Formula:C27H51N2O9PRS KEGG: C04633 + ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C14:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : ddcaACP Name:Dodecanoyl-ACP (n-C12:0ACP) Formula:C23H43N2O8PRS KEGG: C05223 + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + myrsACP Name:Myristoyl-ACP (n-C14:0ACP) Formula:C25H47N2O8PRS KEGG: C05761 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C24:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : behenACP Name:docosanoyl-ACP (n-C22:0) Formula:C33H63N2O8PRS KEGG: + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + lgnACP Name:tetracosanoyl-ACP (n-C24:0) Formula:C35H67N2O8PRS KEGG: + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C20:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 + ocdcaACP Name:Octadecanoyl-ACP (n-C18:0ACP) Formula:C29H55N2O8PRS KEGG: --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + arachACP Name:eicosanoyl-ACP (n-C20:0) Formula:C31H59N2O8PRS KEGG: + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C16:1) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + myrsACP Name:Myristoyl-ACP (n-C14:0ACP) Formula:C25H47N2O8PRS KEGG: C05761 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + hdeACP Name:cis-hexadec-9-enoyl-[acyl-carrier protein] (n-C16:1) Formula:C27H49N2O8PRS KEGG: + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C22:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : arachACP Name:eicosanoyl-ACP (n-C20:0) Formula:C31H59N2O8PRS KEGG: + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + behenACP Name:docosanoyl-ACP (n-C22:0) Formula:C33H63N2O8PRS KEGG: + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C18:1) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 + palmACP Name:Palmitoyl-ACP (n-C16:0ACP) Formula:C27H51N2O8PRS KEGG: C05764 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006 + octeACP Name:cis-octadec-11-enoyl-[acyl-carrier protein] (n-C18:1) Formula:C29H53N2O8PRS KEGG:
Name: 3-hydroxy-octadecanoyl-ACP synthesis Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 + palmACP Name:Palmitoyl-ACP (n-C16:0ACP) Formula:C27H51N2O8PRS KEGG: C05764 --> 3hoctaACP Name:(R)-3-Hydroxyoctadecanoyl-[acyl-carrier protein] Formula:C29H55N2O9PRS KEGG: + ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C20:1) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 + ocdcaACP Name:Octadecanoyl-ACP (n-C18:0ACP) Formula:C29H55N2O8PRS KEGG: --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + aracheACP Name:cis-eicosa-11-enoyl-[acyl-carrier protein] (n-C20:1) Formula:C31H57N2O8PRS KEGG: + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C10:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : actACP Name:Acetoacetyl-ACP Formula:C15H25N2O9PRS KEGG: C05744 + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + dcaACP Name:Decanoyl-ACP (n-C10:0ACP) Formula:C21H39N2O8PRS KEGG: C05755 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C18:2) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + palmACP Name:Palmitoyl-ACP (n-C16:0ACP) Formula:C27H51N2O8PRS KEGG: C05764 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + ocdcyaACP Name:Octadecynoyl-ACP (n-C18:2ACP) Formula:C29H51N2O8PRS KEGG:
Name: Fatty acid biosynthesis (n-C12:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : dcaACP Name:Decanoyl-ACP (n-C10:0ACP) Formula:C21H39N2O8PRS KEGG: C05755 + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + ddcaACP Name:Dodecanoyl-ACP (n-C12:0ACP) Formula:C23H43N2O8PRS KEGG: C05223 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006
Name: Fatty acid biosynthesis (n-C14:1) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : ddcaACP Name:Dodecanoyl-ACP (n-C12:0ACP) Formula:C23H43N2O8PRS KEGG: C05223 + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006 + tdeACP Name:cis-tetradec-7-enoyl-[acyl-carrier protein] (n-C14:1) Formula:C25H45N2O8PRS KEGG:
Name: Fatty acid biosynthesis (n-C16:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + myrsACP Name:Myristoyl-ACP (n-C14:0ACP) Formula:C25H47N2O8PRS KEGG: C05761 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006 + palmACP Name:Palmitoyl-ACP (n-C16:0ACP) Formula:C27H51N2O8PRS KEGG: C05764
Name: Fatty acid biosynthesis (n-C18:0) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 + palmACP Name:Palmitoyl-ACP (n-C16:0ACP) Formula:C27H51N2O8PRS KEGG: C05764 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006 + ocdcaACP Name:Octadecanoyl-ACP (n-C18:0ACP) Formula:C29H55N2O8PRS KEGG:
Name: Fatty acid biosynthesis (n-C22:1) Other genes that carryout this rxn:TM0800 TM0798 TM1724 TM0802 TM0801 Metabolic Subsystem: Fatty Acid Synthesis Reaction: : arachACP Name:eicosanoyl-ACP (n-C20:0) Formula:C31H59N2O8PRS KEGG: + h Name:H+ Formula:H KEGG: C00080 + malACP Name:Malonyl-[acyl-carrier protein] Formula:C14H22N2O10PRS KEGG: C01209 + nadph Name:Nicotinamide adenine dinucleotide phosphate - reduced Formula:C21H26N7O17P3 KEGG: C00005 --> ACP Name:acyl carrier protein Formula:C11H21N2O7PRS KEGG: C00229 + beheneACP Name:dosa-11-enoyl-ACP (n-C20:1) Formula:C33H61N2O8PRS KEGG: + co2 Name:CO2 Formula:CO2 KEGG: C00011 + h2o Name:H2O Formula:H2O KEGG: C00001 + nadp Name:Nicotinamide adenine dinucleotide phosphate Formula:C21H25N7O17P3 KEGG: C00006

Ligand Information
Ligands
Metals

Jmol

Resources
- PDB
- PDBSum
- PSI-KB
- PlasmID
- Proteopedia
- GPSS
- ProFunc

Protein Summary

The gene TM1169 from Thermotoga maritima encodes 3-oxoacyl-(acyl carrier protein) fabG reductase EC:1.1.1.212. The enzyme belongs to a superfamily of Rossmann-fold NAD(P)(+)-binding proteins COG4982. This enzyme belongs to the family of oxidoreductases, specifically those acting on the CH-OH group of donor with NAD+ or NADP+ as acceptor. This enzyme participates in fatty acid biosynthesis and polyunsaturated fatty acid biosynthesis. Dozens of structures have been solved for this class of enzymes, e.g 3FDA from Rickettsia Prowazekii. The amino acid sequence of this protein is highly identical (99%) to a short-chain dehydrogenase/reductase SDR PF00106 from Thermotoga petrophila. It is possible that this enzyme has a rather broad substrate specificity.

Ligand Summary

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1o5i

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