Structure of PDB 4r1q Chain E Binding Site BS03

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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4r1q Chain E Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		E307 E332 H349 H448
Binding residue
(residue number reindexed from 1)		E306 E331 H348 H447
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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