Structure of PDB 1bap Chain A Binding Site BS02
Receptor Information
>1bap Chain A (length=305) Species:
562
(Escherichia coli) [
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NLKLGFLVKQPEEPWFQTEWKFADKAGKDLGFEVIKIAVPDGEKTLNAID
SLAASGAKGFVICTPDPKLGSAIVAKARGYDMKVIAVDDQFVNAKGKPMD
TVPLVMMAATKIGERQGQELYKEMQKRGWDVKESAVMAITANELDTARRR
TTGSMDALKAAGFPEKQIYQVPTKSNDIPGAFDAANSMLVQHPEVKHWLI
VGMNDSTVLGGVRATEGQGFKAADIIGIGINGVDAVSELSKAQATGFYGS
LLGSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKK
GLGGK
Ligand information
Ligand ID
ARB
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5-/m0/s1
InChIKey
SRBFZHDQGSBBOR-KLVWXMOXSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0
C1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341
O[CH]1CO[CH](O)[CH](O)[CH]1O
CACTVS 3.341
O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04
OC1C(O)COC(O)C1O
Formula
C5 H10 O5
Name
beta-L-arabinopyranose;
beta-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBank
DB03246
ZINC
ZINC000003860202
PDB chain
1bap Chain A Residue 308 [
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Receptor-Ligand Complex Structure
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PDB
1bap
A Pro to Gly mutation in the hinge of the arabinose-binding protein enhances binding and alters specificity. Sugar-binding and crystallographic studies.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
K10 E14 D90 R151 M204 N232
Binding residue
(residue number reindexed from 1)
K9 E13 D89 R150 M203 N231
Annotation score
4
Binding affinity
MOAD
: Kd=0.14uM
PDBbind-CN
: -logKd/Ki=6.85,Kd=0.14uM
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0015407
ABC-type monosaccharide transporter activity
GO:0030246
carbohydrate binding
GO:0048029
monosaccharide binding
Biological Process
GO:0042882
L-arabinose transmembrane transport
Cellular Component
GO:0016020
membrane
GO:0030288
outer membrane-bounded periplasmic space
GO:0042597
periplasmic space
GO:0055052
ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1bap
,
PDBe:1bap
,
PDBj:1bap
PDBsum
1bap
PubMed
2204627
UniProt
P02924
|ARAF_ECOLI L-arabinose-binding periplasmic protein (Gene Name=araF)
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