Structure of PDB 2pwf Chain A Binding Site BS02

Receptor Information

>2pwf Chain A (length=555) Species: 265293 (Burkholderia ubonensis subsp. mesacidophila)

GAPWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWIN
PHYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVI
NHSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEK
DPVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFATV
ATYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTA
GEIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLADF
RQTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALAT
VTLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATA
EELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAARE
IGDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGET
YLVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSG
IYKVK

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 2pwf Chain A Residue 7000

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pwf Trehalulose synthase native and carbohydrate complexed structures provide insights into sucrose isomerization.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D22 N24 D26 I28 D30
• Binding residue (residue number reindexed from 1): D20 N22 D24 I26 D28
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D99 R198 A200 E254 H326 D327
• Catalytic site (residue number reindexed from 1): D97 R196 A198 E252 H324 D325
• Enzyme Commision number: 5.4.99.11: isomaltulose synthase.

Gene Ontology

Molecular Function

• GO:0004556 alpha-amylase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0009313 oligosaccharide catabolic process

External links

• PDB: RCSB:2pwf, PDBe:2pwf, PDBj:2pwf
• PDBsum: 2pwf
• PubMed: 17597061
• UniProt: Q2PS28