Structure of PDB 4how Chain A Binding Site BS01

Receptor Information

>4how Chain A (length=559) Species: 55212 (Erwinia rhapontici)

NALPTWWKQAVFYQVYPRSFKDTNGDGIGDLNGIIENLDYLKKLGIDAIW
INPHYDSPNTDNGYDIRDYRKIMKEYGTMEDFDRLISEMKKRNMRLMIDI
VINHTSDQHAWFVQSKSGKNNPYRDYYFWRDGKDGHAPNNYPSFFGGSAW
EKDDKSGQYYLHYFAKQQPDLNWDNPKVRQDLYDMLRFWLDKGVSGLRFD
TVATYSKIPNFPDLSQQQLKNFAEEYTKGPKIHDYVNEMNREVLSHYDIA
TAGEIFGVPLDKSIKFFDRRRNELNIAFTFDLIRLDRDADERWRRKDWTL
SQFRKIVDKVDQTAGEYGWNAFFLDNHDNPRAVSHFGDDRPQWREHAAKA
LATLTLTQRATPFIYQGSELGMTNYPFKKIDDFDDVEVKGFWQDYVETGK
VKAEEFLQNVRQTSRDNSRTPFQWDASKNAGFTSGTPWLKINPNYKEINS
ADQINNPNSVFNYYRKLINIRHDIPALTYGSYIDLDPDNNSVYAYTRTLG
AEKYLVVINFKEEVMHYTLPGDLSINKVITENNSHTIVNKNDRQLRLEPW
QSGIYKLNP

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: 4how Chain A Residue 704

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4how The Structural Basis of Erwinia rhapontici Isomaltulose Synthase
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D63 N65 D67 I69 D71
• Binding residue (residue number reindexed from 1): D22 N24 D26 I28 D30
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D140 R239 D241 E295 H368 D369
• Catalytic site (residue number reindexed from 1): D99 R198 D200 E254 H327 D328
• 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:4how, PDBe:4how, PDBj:4how
• PDBsum: 4how
• PubMed: 24069347
• UniProt: D9MPF2