Structure of PDB 6u1j Chain A

Receptor sequence
>6u1jA (length=324) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence]
MRVLLIAGGVSPEHEVSLLSAEGVLRHIPFPTDLAVIAQDGRWLLGEKAL
TALEAKAAPEGEHPFPPPLSWERYDVVFPLLHGRFGEDGTVQGFLELLGK
PYVGAGVAASALCMDKDLSKRVLAQAGVPVVPWVAVRKGEPPVVPFDPPF
FVKPANTGSSVGISRVERFQDLEAALALAFRYDEKAVVEKALSPVRELEV
GVLGNVFGEASPVGEVRYEAPFYDYETKYTPGRAELLIPAPLDPGTQETV
QELALKAYKVLGVRGMARVDFFLAEGELYLNELNTIPGFTPTSMYPRLFE
AGGVAYPELLRRLVELALTHHHHH
3D structure
PDB6u1j d-Alanine-d-alanine ligase as a model for the activation of ATP-grasp enzymes by monovalent cations.
ChainA
Resolution2.2 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) V16 L19 H82 E226 R268 G288 T292
Catalytic site (residue number reindexed from 1) V16 L19 H82 E226 R268 G288 T292
Enzyme Commision number 6.3.2.4: D-alanine--D-alanine 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 DAL A E13 H82 Y229 R268 E13 H82 Y229 R268
BS02 DAL A R268 G288 S293 R268 G288 S293
BS03 ADP A K116 F151 K153 G158 S160 I163 E189 L192 E197 Y223 F272 N281 E282 K116 F151 K153 G158 S160 I163 E189 L192 E197 Y223 F272 N281 E282
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0008716 D-alanine-D-alanine ligase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:6u1j, PDBe:6u1j, PDBj:6u1j
PDBsum6u1j
PubMed32335509
UniProtQ5SHZ3|DDL_THET8 D-alanine--D-alanine ligase (Gene Name=ddl)

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