Structure of PDB 2pwf Chain B Binding Site BS02

Receptor Information

>2pwf Chain B (length=554) Species: 265293 (Burkholderia ubonensis subsp. mesacidophila)

APWWKSAVFYQVYPRSFKDTNGDGIGDFKGLTEKLDYLKGLGIDAIWINP
HYASPNTDNGYDISDYREVMKEYGTMEDFDRLMAELKKRGMRLMVDVVIN
HSSDQHEWFKSSRASKDNPYRDYYFWRDGKDGHEPNNYPSFFGGSAWEKD
PVTGQYYLHYFGRQQPDLNWDTPKLREELYAMLRFWLDKGVSGMRFATVA
TYSKTPGFPDLTPEQMKNFAEAYTQGPNLHRYLQEMHEKVFDHYDAVTAG
EIFGAPLNQVPLFIDSRRKELDMAFTFDLIRYDRALDRWHTIPRTLADFR
QTIDKVDAIAGEYGWNTFFLGNHDNPRAVSHFGDDRPQWREASAKALATV
TLTQRGTPFIFQGDELGMTNYPFKTLQDFDDIEVKGFFQDYVETGKATAE
ELLTNVALTSRDNARTPFQWDDSANAGFTTGKPWLKVNPNYTEINAAREI
GDPKSVYSFYRNLISIRHETPALSTGSYRDIDPSNADVYAYTRSQDGETY
LVVVNFKAEPRSFTLPDGMHIAETLIESSSPAAPAAGAASLELQPWQSGI
YKVK

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 B Residue 7001

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): D19 N21 D23 I25 D27
• 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): D96 R195 A197 E251 H323 D324
• 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