Structure of PDB 1gw9 Chain A Binding Site BS03

Receptor Information

>1gw9 Chain A (length=384) Species: 1929 (Streptomyces rubiginosus)

YQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVQRLAELGAHGVT
FHDDDLIPFGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFKDG
GFTANDRDVRRYALRKTIRNIDLAVELGAETYVAWGGREGAESGGAKDVR
DALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTVGHALAF
IERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQNGI
KYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVWAS
AAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQALLD
DRSAFEEFDVDAAAARGMAFERLDQLAMDHLLGA

Ligand information

• Ligand ID: LXC
• InChI: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m0/s1
• InChIKey: SRBFZHDQGSBBOR-QTBDOELSSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C1[C@@H]([C@H]([C@@H]([C@H](O1)O)O)O)O
  CACTVS 3.341: O[CH]1CO[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)COC(O)C1O
• Formula: C5 H10 O5
• Name: beta-L-xylopyranose;
  beta-L-xylose;
  L-xylose;
  xylose;
  L-XYLOSE (CYCLIC FORM)
• ZINC: ZINC000001532561
• PDB chain: 1gw9 Chain A Residue 1390

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gw9 Triiodide Derivatization and Combinatorial Counter-Ion Replacement: Two Methods for Enhancing Phasing Signal Using Laboratory Cu Kalpha X-Ray Equipment
• Resolution: 1.55 Å
• Binding residue (original residue number in PDB): H54 F94 W137 E181 D287
• Binding residue (residue number reindexed from 1): H52 F92 W135 E179 D285
• Annotation score: 5

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: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:1gw9, PDBe:1gw9, PDBj:1gw9
• PDBsum: 1gw9
• PubMed: 12037300
• UniProt: P24300|XYLA_STRRU Xylose isomerase (Gene Name=xylA)