Structure of PDB 1xlf Chain B Binding Site BS01
Receptor Information
>1xlf Chain B (length=393) Species:
1669
(Arthrobacter sp. NRRL B3728) [
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VQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYGIT
FHDNDLIPFDATEAEREKILGDFNQALKDTGLKVPMVTTNLFSHPVFKDG
GFTSNDRSIRRFALAKVLHNIDLAAEMGAETFVMWGGREGSEYDGSKDLA
AALDRMREGVDTAAGYIKDKGYNLRIALEPKPNEPRGDIFLPTVGHGLAF
IEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEKLFHIDLNGQRGI
KYDQDLVFGHGDLTSAFFTVDLLENGFPNGGPKYTGPRHFDYKPSRTDGY
DGVWDSAKANMSMYLLLKERALAFRADPEVQEAMKTSGVFELGETTLNAG
ESAADLMNDSASFAGFDAEAAAERNFAFIRLNQLAIEHLLGSR
Ligand information
Ligand ID
GCO
InChI
InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
InChIKey
RGHNJXZEOKUKBD-SQOUGZDYSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
OpenEye OEToolkits 1.5.0
C(C(C(C(C(C(=O)O)O)O)O)O)O
CACTVS 3.341
OC[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
CACTVS 3.341
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
ACDLabs 10.04
O=C(O)C(O)C(O)C(O)C(O)CO
Formula
C6 H12 O7
Name
D-gluconic acid;
GLUCONIC ACID
ChEMBL
CHEMBL464345
DrugBank
DB13180
ZINC
ZINC000001531008
PDB chain
1xlf Chain B Residue 400 [
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Receptor-Ligand Complex Structure
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PDB
1xlf
Mechanism for aldose-ketose interconversion by D-xylose isomerase involving ring opening followed by a 1,2-hydride shift.
Resolution
2.5 Å
Binding residue
(original residue number in PDB)
W15 H53 W136 E180 D292
Binding residue
(residue number reindexed from 1)
W14 H52 W135 E179 D291
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H53 D56 M87 E180 K182 E216 H219 D244 D254 D256 D292
Catalytic site (residue number reindexed from 1)
H52 D55 M86 E179 K181 E215 H218 D243 D253 D255 D291
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:1xlf
,
PDBe:1xlf
,
PDBj:1xlf
PDBsum
1xlf
PubMed
2319597
UniProt
P12070
|XYLA_ARTS7 Xylose isomerase (Gene Name=xylA)
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