Structure of PDB 3cwh Chain A Binding Site BS01

Receptor Information
>3cwh Chain A (length=387) Species: 1929 (Streptomyces rubiginosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVRRLAELGAHGV
TFHDDDLIPFGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAETYVAWGGREGAESGGAKDV
RDALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTVGHALA
FIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQNG
IKYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQALL
DDRSAFEEFDVDAAAARGMAFERLDQLAMDHLLGARG
Ligand information
Ligand IDXUL
InChIInChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2/t3-,5+/m1/s1
InChIKeyZAQJHHRNXZUBTE-WUJLRWPWSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(CO)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(=O)CO)O)O)O
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](C(=O)CO)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)C(=O)CO
CACTVS 3.341OC[C@@H](O)[C@H](O)C(=O)CO
FormulaC5 H10 O5
NameD-XYLULOSE
ChEMBLCHEMBL195094
DrugBank
ZINCZINC000100028356
PDB chain3cwh Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3cwh Hydrogen location in stages of an enzyme-catalyzed reaction: time-of-flight neutron structure of D-xylose isomerase with bound D-xylulose
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W16 H54 W137 E181 K183 H220 D287
Binding residue
(residue number reindexed from 1)		W15 H53 W136 E180 K182 H219 D286
Annotation score1
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:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0042732 D-xylose metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3cwh, PDBe:3cwh, PDBj:3cwh
PDBsum3cwh
PubMed18578508
UniProtP24300|XYLA_STRRU Xylose isomerase (Gene Name=xylA)

[Back to BioLiP]