Structure of PDB 1xib Chain A Binding Site BS01

Receptor Information

>1xib Chain A (length=388) Species: 1929 (Streptomyces rubiginosus)

MNYQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVQRLAELGAHG
VTFHDDDLIPFGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFK
DGGFTANDRDVRRYALRKTIRNIDLAVELGAETYVAWGGREGAESGGAKD
VRDALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTVGHAL
AFIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQN
GIKYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVW
ASAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQAL
LDDRSAFEEFDVDAAAARGMAFERLDQLAMDHLLGARG

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 1xib Chain A Residue 390

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1xib Modes of binding substrates and their analogues to the enzyme D-xylose isomerase.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E217 H220 D255 D257
• Binding residue (residue number reindexed from 1): E217 H220 D255 D257
• 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): H54 D57 M88 E181 K183 E217 H220 D245 D255 D257 D287
• 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:0042802 identical protein binding
• 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:1xib, PDBe:1xib, PDBj:1xib
• PDBsum: 1xib
• PubMed: 15299449
• UniProt: P24300|XYLA_STRRU Xylose isomerase (Gene Name=xylA)