Structure of PDB 5nha Chain A Binding Site BS03

Receptor Information
>5nha Chain A (length=436) Species: 73868 (Piromyces sp. E2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKEYFPQIQKIKFEGKDSKNPLAFHYYDAEKEVMGKKMKDWLRFAMAWWH
TLCAEGADQFGGGTKSFPWNEGTDAIEIAKQKVDAGFEIMQKLGIPYYCF
HDVDLVSEGNSIEEYESNLKAVVAYLKEKQKETGIKLLWSTANVFGHKRY
MNGASTNPDFDVVARAIVQIKNAIDAGIELGAENYVFWGGREGYMSLLNT
DQKREKEHMATMLTMARDYARSKGFKGTFLIEPKPMEPTKHQYDVDTETA
IGFLKAHNLDKDFKVNIEVNHATLAGHTFEHELACAVDAGMLGSIDANRG
DYQNGWDTDQFPIDQYELVQAWMEIIRGGGFVTGGTNFDAKTRRNSTDLE
DIIIAHVSGMDAMARALENAAKLLQESPYTKMKKERYASFDSGIGKDFED
GKLTLEQVYEYGKKNGEPKQTSGKQELYEAIVAMYQ
Ligand information
Ligand IDSOR
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6-/m1/s1
InChIKeyFBPFZTCFMRRESA-JGWLITMVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)[CH](O)CO
ACDLabs 10.04OC(C(O)CO)C(O)C(O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
OpenEye OEToolkits 1.5.0C(C(C(C(C(CO)O)O)O)O)O
FormulaC6 H14 O6
Namesorbitol;
D-sorbitol;
D-glucitol
ChEMBLCHEMBL1682
DrugBankDB01638
ZINCZINC000018279893
PDB chain5nha Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5nha Metal Dependence of the Xylose Isomerase from Piromyces sp. E2 Explored by Activity Profiling and Protein Crystallography.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		W50 H102 W189 E233 D340
Binding residue
(residue number reindexed from 1)		W49 H101 W188 E232 D339
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H102 D105 W140 E233 K235 E269 H272 D297 D308 D310 D340
Catalytic site (residue number reindexed from 1) H101 D104 W139 E232 K234 E268 H271 D296 D307 D309 D339
Enzyme Commision number 5.3.1.5: xylose isomerase.
Gene Ontology
Molecular Function
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
GO:0044577 D-xylose catabolic process to ethanol

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5nha, PDBe:5nha, PDBj:5nha
PDBsum5nha
PubMed29045784
UniProtQ9P8C9

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