Structure of PDB 9abp Chain A Binding Site BS01

Receptor Information
>9abp Chain A (length=305) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLKLGFLVKQPEEPWFQTEWKFADKAGKDLGFEVIKIAVPDGEKTLNAID
SLAASGAKGFVICTPDPKLGSAIVAKARGYDMKVIAVDDQFVNAKGKPMD
TVPLVMMAATKIGERQGQELYKEMQKRGWDVKESAVMAITANELDTARRR
TTGSMDALKAAGFPEKQIYQVPTKSNDIPGAFDAANSMLVQHPEVKHWLI
VGMNDSTVLGGVRATEGQGFKAADIIGIGINGVDAVSELSKAQATGFYGS
LLGSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKK
GLGGK
Ligand information
Ligand IDGLA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PHYPRBDBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-galactopyranose;
alpha-D-galactose;
D-galactose;
galactose;
ALPHA D-GALACTOSE
ChEMBLCHEMBL1233058
DrugBank
ZINCZINC000000901155
PDB chain9abp Chain A Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB9abp A Pro to Gly mutation in the hinge of the arabinose-binding protein enhances binding and alters specificity. Sugar-binding and crystallographic studies.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		K10 E14 W16 D89 D90 R151 M204 N205 N232
Binding residue
(residue number reindexed from 1)		K9 E13 W15 D88 D89 R150 M203 N204 N231
Annotation score4
Binding affinityMOAD: Kd=0.01uM
PDBbind-CN: -logKd/Ki=8.00,Kd=0.01uM
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
View graph for
Cellular Component
External links
PDB RCSB:9abp, PDBe:9abp, PDBj:9abp
PDBsum9abp
PubMed2204627
UniProtP02924|ARAF_ECOLI L-arabinose-binding periplasmic protein (Gene Name=araF)

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