Structure of PDB 4dxv Chain A Binding Site BS01

Receptor Information

>4dxv Chain A (length=291) Species: 575584 (Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841)

TIQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEAST
LSMEEHTQVIKEIIRVANKRIPIIAGTGANSTREAIELTKAAKDLGADAA
LLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVR
LAEIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGAD
GNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPI
PVKWALHEMGLIDTGIRLPLTPLAEQYREPLRNALKDAGII

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4dxv Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4dxv Crystal structure of Dihydrodipicolinate synthase from Acinetobacter baumannii complexed with Mg and Cl ions at 1.80 A resolution
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): T104 N134 V135 P136 T139
• Binding residue (residue number reindexed from 1): T104 N134 V135 P136 T139
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T44 Y107 Y133 R138 K161 I203
• Catalytic site (residue number reindexed from 1): T44 Y107 Y133 R138 K161 I203
• Enzyme Commision number: 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.

Gene Ontology

Molecular Function

• GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009085 lysine biosynthetic process
• GO:0009089 lysine biosynthetic process via diaminopimelate
• GO:0019877 diaminopimelate biosynthetic process
• GO:0044281 small molecule metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:4dxv, PDBe:4dxv, PDBj:4dxv
• PDBsum: 4dxv
• UniProt: D0CFC3