Structure of PDB 4hhm Chain E Binding Site BS02

Receptor Information

>4hhm Chain E (length=386) Species: 253732 (Streptomyces sp. SK)

NYQPTPEDRFTFGLWTVGWQGRDPFGDATRPALDPVEAVQRLAELGAYGV
TFHDDDLIPFGASDTEREAHVKRFRQALDATGMTVPMATTNLFTHPVFKD
GAFTANDRDVRRYALRKTIRNIDLAVELGAKVYVAWGGREGAESGAAKDV
RAALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTIGHALA
FIERLERPELYGVNPEVAHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSG
IKYDQDLRFGAGDLRAAFWLVDLLESAGWEGPRHFDFKPPRTEDIDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRAARLDQLAEPTAADGLQALL
ADRTAYEDFDVDAAAARGMAFERLDQLAMDHLLGAR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4hhm Chain E Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hhm Identification of critical residues for the activity and thermostability of Streptomyces sp. SK glucose isomerase.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): E181 E217 D245 D287
• Binding residue (residue number reindexed from 1): E180 E216 D244 D286
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H54 D57 M88 E181 K183 E217 H220 D245 D255 D257 D287
• Catalytic site (residue number reindexed from 1): H53 D56 M87 E180 K182 E216 H219 D244 D254 D256 D286
• Enzyme Commision number: 5.3.1.5: xylose isomerase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0009045 xylose isomerase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0042732 D-xylose metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4hhm, PDBe:4hhm, PDBj:4hhm
• PDBsum: 4hhm
• PubMed: 23463249
• UniProt: Q9ZAI3