Structure of PDB 3ijp Chain A Binding Site BS01

Receptor Information

>3ijp Chain A (length=266) Species: 38323 (Bartonella henselae)

SMRLTVVGANGRMGRELITAIQRRKDVELCAVLVRKGSSFVDKDASILIG
SDFLGVRITDDPESAFSNTEGILDFSQPQASVLYANYAAQKSLIHIIGTT
GFSKTEEAQIADFAKYTTIVKSGNMSLGVNLLANLVKRAAKALDDDFDIE
IYEMHHANKVDSPSGTALLLGQAAAEGRNIMLKNVSVNGRSGHTGKREKG
TIGFACSRGGTVIGDHSITFAGENERIVLSHIAQERSIFANGALKAALWA
KNHENGLYSMLDVLGL

Ligand information

• Ligand ID: NA
• InChI: InChI=1S/Na/q+1
• InChIKey: FKNQFGJONOIPTF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Na+]
• Formula: Na
• Name: SODIUM ION
• DrugBank: DB14516
• PDB chain: 3ijp Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ijp The crystal structure of dihydrodipicolinate reductase from the human-pathogenic bacterium Bartonella henselae strain Houston-1 at 2.3 angstrom resolution.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): I20 Q21 R23 V26
• Binding residue (residue number reindexed from 1): I21 Q22 R24 V27
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H154 K158
• Catalytic site (residue number reindexed from 1): H155 K159
• Enzyme Commision number: 1.17.1.8: 4-hydroxy-tetrahydrodipicolinate reductase.

Gene Ontology

Molecular Function

• GO:0008839 4-hydroxy-tetrahydrodipicolinate reductase
• GO:0016491 oxidoreductase activity
• GO:0016726 oxidoreductase activity, acting on CH or CH2 groups, NAD or NADP as acceptor
• GO:0050661 NADP binding
• GO:0051287 NAD binding

Biological Process

• GO:0009085 lysine biosynthetic process
• GO:0009089 lysine biosynthetic process via diaminopimelate
• GO:0019877 diaminopimelate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3ijp, PDBe:3ijp, PDBj:3ijp
• PDBsum: 3ijp
• PubMed: 27917836
• UniProt: Q6G2G3|DAPB_BARHE 4-hydroxy-tetrahydrodipicolinate reductase (Gene Name=dapB)