Structure of PDB 1md9 Chain A

Receptor sequence
>1md9A (length=536) Species: 1423 (Bacillus subtilis) [Search protein sequence]
MLKGFTPWPDELAETYRKNGCWAGETFGDLLRDRAAKYGDRIAITCGNTH
WSYRELDTRADRLAAGFQKLGIQQKDRVVVQLPNIKEFFEVIFALFRLGA
LPVFALPSHRSSEITYFCEFAEAAAYIIPDAYSGFDYRSLARQVQSKLPT
LKNIIVAGEAEEFLPLEDLHTEPVKLPEVKSSDVAFLQLSGGSTGLSKLI
PRTHDDYIYSLKRSVEVCWLDHSTVYLAALPMAHNYPLSSPGVLGVLYAG
GRVVLSPSPSPDDAFPLIEREKVTITALVPPLAMVWMDAASSRRDDLSSL
QVLQVGGAKFSAEAARRVKAVFGCTLQQVFGMAEGLVNYTRLDDPEEIIV
NTQGKPMSPYDESRVWDDHDRDVKPGETGHLLTRGPYTIRGYYKAEEHNA
ASFTEDGFYRTGDIVRLTRDGYIVVEGRAKDQINRGGEKVAAEEVENHLL
AHPAVHDAAMVSMPDQFLGERSCVFIIPRDEAPKAAELKAFLRERGLAAY
KIPDRVEFVESFPQTGVGKVSKKALREAISEKLLAG
3D structure
PDB1md9 Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases.
ChainA
Resolution2.8 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) S190 S210 H234 A333 E334 N434 K439 K519
Catalytic site (residue number reindexed from 1) S190 S210 H234 A333 E334 N434 K439 K519
Enzyme Commision number 6.2.1.71: 2,3-dihydroxybenzoate--[aryl-carrier protein] ligase.
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 AMP A G191 G307 A308 K309 V329 F330 G331 M332 D413 V425 R428 K519 G191 G307 A308 K309 V329 F330 G331 M332 D413 V425 R428 K519
BS02 DBH A H234 N235 Y236 S240 G307 V329 G331 M332 K519 H234 N235 Y236 S240 G307 V329 G331 M332 K519
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008668 2,3-dihydroxybenzoate--[aryl-carrier protein] ligase
GO:0016874 ligase activity
Biological Process
GO:0019290 siderophore biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:1md9, PDBe:1md9, PDBj:1md9
PDBsum1md9
PubMed12221282
UniProtP40871|DHBE_BACSU 2,3-dihydroxybenzoate-AMP ligase (Gene Name=dhbE)

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