Structure of PDB 4xvx Chain A

Receptor sequence

>4xvxA (length=371) Species: 83332 (Mycobacterium tuberculosis H37Rv)

SDLDDFRGLLAKAFDERVVAWTAEAEAQERFPRQLIEHLGVCGVFDAKWA
TDARPDVGKLVELAFALGQLASAGIGVGVSLHDSAIAILRRFGKSDYLRD
ICDQAIRGAAVLCIGASEESGGSDLQIVETEIRSRDGGFEVRGVKKFVSL
SPIADHIMVVARSVDHGNVAVVAVPAAQVSVQTPYRKVGAGPLDTAAVCI
DTWVPADALVARAGTGLAAISWGLAHERMSIAGQIAASCQRAIGITLARM
MSRRQFGQTLFEHQALRLRMADLQARVDLLRYALHGIAEQGRLELRTAAA
VKVTAARLGEEVISECMHIFGGAGYLVDETTLGKWWRDMKLARVGGGTDE
VLWELVAAGMTPDHDGYAAVV

3D structure

• PDB: 4xvx A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket.
• Chain: A
• Resolution: 2.3 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): A120 S121 E237 G356 A368
• Catalytic site (residue number reindexed from 1): A116 S117 E227 G346 A358
• Enzyme Commision number: 1.3.99.-

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	FDA	A	A120 S121 G126 S127 F151 S153 T358 E360	A116 S117 G122 S123 F147 S149 T348 E350
BS02	FDA	A	R263 Q265 F266 L270 H273 L276 H328 I329 G332	R253 Q255 F256 L260 H263 L266 H318 I319 G322

Gene Ontology

Molecular Function

• GO:0003995 acyl-CoA dehydrogenase activity
• GO:0016491 oxidoreductase activity
• GO:0016627 oxidoreductase activity, acting on the CH-CH group of donors
• GO:0050660 flavin adenine dinucleotide binding
• GO:0141148 enoyl-[acyl-carrier-protein] reductase (NADPH) activity

Biological Process

• GO:0019540 catechol-containing siderophore biosynthetic process
• GO:0033539 fatty acid beta-oxidation using acyl-CoA dehydrogenase

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4xvx, PDBe:4xvx, PDBj:4xvx
• PDBsum: 4xvx
• PubMed: 25849397
• UniProt: P9WQF9|MBTN_MYCTU Acyl-[acyl-carrier-protein] dehydrogenase MbtN (Gene Name=mbtN)