Structure of PDB 3xim Chain A Binding Site BS01

Receptor Information
>3xim Chain A (length=391) Species: 1866 (Actinoplanes missouriensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QATREDKFSFGLWTVGWQARDAFGDATRTALDPVEAVHKLAEIGAYGITF
HDDDLVPFGSDAQTRDGIIAGFKKALDETGLIVPMVTTNLFTHPVFKDGG
FTSNDRSVRRYAIRKVLRQMDLGAELGAKTLVLWGGREGAEYDSAKDVSA
ALDRYREALNLLAQYSEDRGYGLRFAIEPKPNEPRGDILLPTAGHAIAFV
QELERPELFGINPETGHEQMSNLNFTQGIAQALWHKKLFHIDLNGQHGPK
FDQDLVFGHGDLLNAFSLVDLLENGPDGAPAYDGPRHFDYKPSRTEDYDG
VWESARANIRMYLLLRERARAFRADPEVQEALAASKVAELKTPTLNPGEG
YAELLADRSAFEDYDADAVGAKGFGFVKLNQLAIEHLLGAR
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 chain3xim Chain A Residue 397 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3xim Arginine residues as stabilizing elements in proteins.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H54 T90 V135 W137 E181 E217 H220 D292
Binding residue
(residue number reindexed from 1)		H51 T87 V132 W134 E178 E214 H217 D289
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H54 D57 M88 E181 K183 E217 H220 D245 D255 D257 D292
Catalytic site (residue number reindexed from 1) H51 D54 M85 E178 K180 E214 H217 D242 D252 D254 D289
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:3xim, PDBe:3xim, PDBj:3xim
PDBsum3xim
PubMed1540579
UniProtP12851|XYLA_ACTM4 Xylose isomerase (Gene Name=xylA)

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