Structure of PDB 1xli Chain B Binding Site BS01
Receptor Information
>1xli Chain B (length=393) Species:
1669
(Arthrobacter sp. NRRL B3728) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
VQPTPADHFTFGLWTVGWTGADPFGVATRKNLDPVEAVHKLAELGAYGIT
FHDNDLIPFDATEAEREKILGDFNQALKDTGLKVPMVTTNLFSHPVFKDG
GFTSNDRSIRRFALAKVLHNIDLAAEMGAETFVMWGGREGSEYDGSKDLA
AALDRMREGVDTAAGYIKDKGYNLRIALEPKPNEPRGDIFLPTVGHGLAF
IEQLEHGDIVGLNPETGHEQMAGLNFTHGIAQALWAEKLFHIDLNGQRGI
KYDQDLVFGHGDLTSAFFTVDLLENGFPNGGPKYTGPRHFDYKPSRTDGY
DGVWDSAKANMSMYLLLKERALAFRADPEVQEAMKTSGVFELGETTLNAG
ESAADLMNDSASFAGFDAEAAAERNFAFIRLNQLAIEHLLGSR
Ligand information
Ligand ID
GLT
InChI
InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey
KNWYARBAEIMVMZ-DVKNGEFBSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](S1)O)O)O)O)O
CACTVS 3.341
OC[C@H]1S[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0
C(C1C(C(C(C(S1)O)O)O)O)O
ACDLabs 10.04
OC1C(O)C(SC(O)C1O)CO
CACTVS 3.341
OC[CH]1S[CH](O)[CH](O)[CH](O)[CH]1O
Formula
C6 H12 O5 S
Name
5-thio-alpha-D-glucopyranose;
5-DEOXY-5-THIO-ALPHA-D-GLUCOSE;
5-thio-alpha-D-glucose;
5-thio-D-glucose;
5-thio-glucose
ChEMBL
CHEMBL134001
DrugBank
ZINC
ZINC000004134459
PDB chain
1xli Chain B Residue 400 [
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
1xli
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)
H53 T89 F93 W136 E180 D292
Binding residue
(residue number reindexed from 1)
H52 T88 F92 W135 E179 D291
Annotation score
1
Binding affinity
MOAD
: Ki=33mM
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
View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB
RCSB:1xli
,
PDBe:1xli
,
PDBj:1xli
PDBsum
1xli
PubMed
2319597
UniProt
P12070
|XYLA_ARTS7 Xylose isomerase (Gene Name=xylA)
[
Back to BioLiP
]