Structure of PDB 7abp Chain A Binding Site BS01

Receptor Information
>7abp 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
TVPLVMLAATKIGERQGQELYKEMQKRGWDVKESAVMAITANELDTARRR
TTGSMDALKAAGFPEKQIYQVPTKSNDIPGAFDAANSMLVQHPEVKHWLI
VGMNDSTVLGGVRATEGQGFKAADIIGIGINGVDAVSELSKAQATGFYGS
LLPSPDVHGYKSSEMLYNWVAKDVEPPKFTEVTDVVLITRDNFKEELEKK
GLGGK
Ligand information
Ligand IDFCA
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1
InChIKeySHZGCJCMOBCMKK-PHYPRBDBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
CACTVS 3.341C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-D-fucopyranose;
alpha-D-fucose;
6-deoxy-alpha-D-galactopyranose;
D-fucose;
fucose
ChEMBLCHEMBL609880
DrugBankDB03485
ZINCZINC000001532815
PDB chain7abp 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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PDB7abp Sugar-binding and crystallographic studies of an arabinose-binding protein mutant (Met108Leu) that exhibits enhanced affinity and altered specificity.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		K10 E14 W16 D90 R151 M204 N232
Binding residue
(residue number reindexed from 1)		K9 E13 W15 D89 R150 M203 N231
Annotation score4
Binding affinityMOAD: Kd=0.35uM
PDBbind-CN: -logKd/Ki=6.46,Kd=0.35uM
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:7abp, PDBe:7abp, PDBj:7abp
PDBsum7abp
PubMed2069949
UniProtP02924|ARAF_ECOLI L-arabinose-binding periplasmic protein (Gene Name=araF)

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