Structure of PDB 6n99 Chain A Binding Site BS01

Receptor Information

>6n99 Chain A (length=384) Species: 463642 (Streptomyces sp. F-1)

YQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVETVQRLAELGAHGVT
FHDDDLIPFGSSDAEREAHIKRFREALDATGMKVPMATTNLFTHPVFKDG
GFTANDRDVRRYALRKTIRNIDLAAELGAEVYVAWGGREGAESGAAKDVR
AALDRMKEAFDILGEYVTAQGYNLRFAIEPKPNEPRGDILLPTVGHALAF
IERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSGI
KYDQDLRFGAGDLRAAFWLVDLLESAGYEGPRHFDFKPPRTEDLDGVWAS
AAGCMRNYLILKERSAAFRADPEVQEALRAARLDQLAEPTAADGLQALLA
DRTAFEDFDVDAAAARGMAFERLDQLAMDHLLGA

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: 6n99 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6n99 Crystal structure of a novel xylose isomerase from Streptomyces sp. F-1 revealed the presence of unique features that differ from conventional classes.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): E217 H220 D255 D257
• Binding residue (residue number reindexed from 1): E215 H218 D253 D255
• 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:6n99, PDBe:6n99, PDBj:6n99
• PDBsum: 6n99
• PubMed: 32035160
• UniProt: A0A1K2FKX8