Structure of PDB 1xyc Chain B Binding Site BS01

Receptor Information
>1xyc Chain B (length=386) Species: 1963 (Streptomyces olivochromogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQPTPEDRFTFGLWTVGWQGRDPFGDATRPALDPVETVQRLAELGAHGV
TFHDDDLIPFGSSDTERESHIKRFRQALDATGMTVPMATTNLFTHPVFKD
GGFTANDRDVRRYALRKTIRNIDLAVELGAKTYVAWGGREGAESGAAKDV
RVALDRMKEAFDLLGEYVTSQGYDTRFAIEPKPNEPRGDILLPTVGHALA
FIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQSG
IKYDQDLRFGAGDLRAAFWLVDLLESAGYEGPRHFDFKPPRTEDIDGVWA
SAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELAQPTAADGVQELL
ADRTAFEDFDVDAAAARGMAFERLDQLAMDHLLGAR
Ligand information
Ligand ID3MF
InChIInChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1
InChIKeyOFSVCCCZZQKHKQ-QPPQHZFASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO
CACTVS 3.341CO[C@@H]([C@H](O)[C@H](O)CO)C(=O)CO
ACDLabs 10.04O=C(C(OC)C(O)C(O)CO)CO
CACTVS 3.341CO[CH]([CH](O)[CH](O)CO)C(=O)CO
OpenEye OEToolkits 1.5.0COC(C(C(CO)O)O)C(=O)CO
FormulaC7 H14 O6
Name3-O-METHYLFRUCTOSE IN LINEAR FORM
ChEMBL
DrugBankDB02438
ZINC
PDB chain1xyc Chain B Residue 960 [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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PDB1xyc X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		W515 H553 T589 W636 E680 K682 H719 D786
Binding residue
(residue number reindexed from 1)		W15 H53 T89 W136 E180 K182 H219 D286
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H553 D556 M587 E680 K682 E716 H719 D744 D754 D756 D786
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:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0042732 D-xylose metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xyc, PDBe:1xyc, PDBj:1xyc
PDBsum1xyc
PubMed8180169
UniProtP15587|XYLA_STROL Xylose isomerase (Gene Name=xylA)

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