Structure of PDB 2hk1 Chain A Binding Site BS02

Receptor Information

>2hk1 Chain A (length=289) Species: 358 (Agrobacterium tumefaciens)

MKHGIYYSYWEHEWSAKFGPYIEKVAKLGFDIIEVAAHHINEYSDAELAT
IRKSAKDNGIILTAGIGPSKTKNLSSEDAAVRAAGKAFFERTLSNVAKLD
IHTIGGALHSYWPIDYSQPVDKAGDYARGVEGINGIADFANDLGINLCIE
VLNRFENHVLNTAAEGVAFVKDVGKNNVKVMLDTFHMNIEEDSFGDAIRT
AGPLLGHFHTGESNRRVPGKGRMPWHEIGLALRDINYTGAVIMEPFVKTG
GTIGSDIKVWRDLSGGADIAKMDEDARNALAFSRFVLGG

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 2hk1 Chain A Residue 1004

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hk1 Crystal Structure of d-Psicose 3-epimerase from Agrobacterium tumefaciens and its Complex with True Substrate d-Fructose: A Pivotal Role of Metal in Catalysis, an Active Site for the Non-phosphorylated Substrate, and its Conformational Changes
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): E150 D183 H209 E244
• Binding residue (residue number reindexed from 1): E150 D183 H209 E244
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.1.3.30: D-psicose 3-epimerase.

Gene Ontology

Molecular Function

• GO:0016853 isomerase activity
• GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
• GO:0030145 manganese ion binding
• GO:0046872 metal ion binding
• GO:0050897 cobalt ion binding

External links

• PDB: RCSB:2hk1, PDBe:2hk1, PDBj:2hk1
• PDBsum: 2hk1
• PubMed: 16876192
• UniProt: A9CH28|DPES_AGRFC D-psicose 3-epimerase (Gene Name=dpe)