Structure of PDB 4hhl Chain B Binding Site BS02

Receptor Information

>4hhl Chain B (length=385) Species: 253732 (Streptomyces sp. SK)

YQPTPEDRFTFGLWTVGWQGRDPFGDATRPALDPVEAVQRLAELGAYGVT
FHDDDLIPFGASDTEREAHVKRFRQALDATGMTVPMATTNLFTHPVFKDG
AFTANDRDVRRYALRKTIRNIDLAVELGAKVYVAWGGREGAESGAAKDVR
AALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTIGHALAF
IERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSGI
KYDQDLRFGAGDLRAAFWLVDLLESAGWEGPRHFDFKPPRTEDIDGVWAS
AAGCMRNYLILKERAAAFRADPEVQEALRAARLDQLAEPTAADGLQALLA
DRTAYEDFDVDAAAARGMAFERLDQLAMDHLLGAR

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: 4hhl Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hhl Identification of critical residues for the activity and thermostability of Streptomyces sp. SK glucose isomerase.
• Resolution: 1.73 Å
• Binding residue (original residue number in PDB): E181 E217 D245 D287
• Binding residue (residue number reindexed from 1): E179 E215 D243 D285
• 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): H52 D55 M86 E179 K181 E215 H218 D243 D253 D255 D285
• 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:4hhl, PDBe:4hhl, PDBj:4hhl
• PDBsum: 4hhl
• PubMed: 23463249
• UniProt: Q9ZAI3