Structure of PDB 4r1q Chain E Binding Site BS02

Receptor Information
>4r1q Chain E (length=496) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLSLRPYEFWFVTGSQHLYGEEALKQVEEHSRIMVNEWNRDSVFPFPFVF
KSVVTTPEEIRRVCLEANASEQCAGVVTWMHTFSPAKMWIGGLLELRKPL
LHLHTQFNRDIPWDSIDMDFMNLNQSAHGDREYGFIGARMGVARKVVVGH
WEDPEVRERLAKWMRTAVAFAESRNLKVARFGDNMREVAVTEGDKVGAQI
QFGWSVNGYGIGDLVQYIRDVSEQKVNELLDEYEELYDIVPAGRQEGPVR
ESIREQARIELGLKAFLQDGNFTAFTTTFEDLHGMKQLPGLAVQRLMAEG
YGFGGEGDWKTAALVRLMKVMADGKGTSFMEDYTYHFEPGNELILGAHML
EVCPTIAATRPRVEVHPLSIGGKEDPARLVFDGGEGAAVNASLIDLGHRF
RLIVNEVDAVKPEHDMPKLPVARILWKPRPSLRDSAEAWILAGGAHHTCF
SFAVTTEQLQDFAEMAGIECVVINEHTSVSSFKNELKWNEVFWRGR
Ligand information
Ligand IDSST
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m0/s1
InChIKeyHEBKCHPVOIAQTA-IMJSIDKUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C(C(CO)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@@H](C([C@H](CO)O)O)O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH](O)CO
ACDLabs 12.01OC(CO)C(O)C(O)CO
CACTVS 3.385OC[C@H](O)[C@@H](O)[C@@H](O)CO
FormulaC5 H12 O5
NameL-arabinitol;
(2S,4S)-pentane-1,2,3,4,5-pentol
ChEMBL
DrugBank
ZINCZINC000000895208
PDB chain4r1q Chain E Residue 501 [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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PDB4r1q Crystal Structure of Thermophilic L-Arabinose Isomerase with L-Arabitol from Geobacillus kaustophilus
Resolution2.248 Å
Binding residue
(original residue number in PDB)		M186 E307 E332 M350 H447
Binding residue
(residue number reindexed from 1)		M185 E306 E331 M349 H446
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.4: L-arabinose isomerase.
Gene Ontology
Molecular Function
GO:0008733 L-arabinose isomerase activity
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0019568 arabinose catabolic process
GO:0019569 L-arabinose catabolic process to xylulose 5-phosphate
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4r1q, PDBe:4r1q, PDBj:4r1q
PDBsum4r1q
PubMed
UniProtQ5KYP7|ARAA_GEOKA L-arabinose isomerase (Gene Name=araA)

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