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Structure of PDB 1xid Chain A Binding Site BS03

Receptor Information >1xid 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] MNYQPTPEDRFTFGLWTVGWQGRDPFGDATRRALDPVESVQRLAELGAHG VTFHDDDLIPFGSSDSEREEHVKRFRQALDDTGMKVPMATTNLFTHPVFK DGGFTANDRDVRRYALRKTIRNIDLAVELGAETYVAWGGREGAESGGAKD VRDALDRMKEAFDLLGEYVTSQGYDIRFAIEPKPNEPRGDILLPTVGHAL AFIERLERPELYGVNPEVGHEQMAGLNFPHGIAQALWAGKLFHIDLNGQN GIKYDQDLRFGAGDLRAAFWLVDLLESAGYSGPRHFDFKPPRTEDFDGVW ASAAGCMRNYLILKERAAAFRADPEVQEALRASRLDELARPTAADGLQAL LDDRSAFEEFDVDAAAARGMAFERLDQLAMDHLLGAR

Ligand information Ligand ID ASC InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1 InChIKey CIWBSHSKHKDKBQ-JLAZNSOCSA-N SMILES Software SMILES CACTVS 3.341 OC[CH](O)[CH]1OC(=O)C(=C1O)O OpenEye OEToolkits 1.5.0 C(C(C1C(=C(C(=O)O1)O)O)O)O OpenEye OEToolkits 1.5.0 C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O CACTVS 3.341 OC[C@H](O)[C@H]1OC(=O)C(=C1O)O ACDLabs 10.04 O=C1OC(C(O)=C1O)C(O)CO Formula C6 H8 O6 Name ASCORBIC ACID; Vitamin C ChEMBL CHEMBL196 DrugBank DB00126 ZINC ZINC000100006770 PDB chain 1xid Chain A Residue 389 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1xid Modes of binding substrates and their analogues to the enzyme D-xylose isomerase. Resolution 1.7 Å Binding residue (original residue number in PDB) W16 H54 W137 E181 D287 K289 Binding residue (residue number reindexed from 1) W16 H54 W137 E181 D287 K289 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

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