Structure of PDB 3oo6 Chain A Binding Site BS01

Receptor Information
>3oo6 Chain A (length=390) Species: 134676 (Actinoplanes sp. SE50/110) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNGPITFGSNYSDEAPKAAFASLMQQATTSTTVPVTVNTTDHNTFQNNIS
NYLQGTPDSLATWFAGYRLQFFAAQGLLTPIDDVWDKIGGTFNDAAKSLS
KGLDGHYYLVPLYNYPWVVFYNKSVFQSKGYEVPASWEAFIALARKMQSD
GLVPLAFADKDGWPALGTFDILNLRINGYDYHIKLMKHEVPWTDPGVTKV
FDQWRELAAYQQKGANGRTWQDAAKALENKQAGMMFQGSNQVAANYSAKN
LPDLDFFVFPAINPQYGTDYMDAPTDGFILPKKGKNAAAAKKVLQYIGTA
EAEAAFLKTDHWDVGLANGLIAPTYNDIQKKSVAEIGKCKSVSQFMDRDT
VPDMANAMIKLIQQFIDQPTPETIATVQKSAEDQAKTIFR
Ligand information
Ligand IDGAL
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-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain3oo6 Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oo6 Crystal structures of the bacterial solute receptor AcbH displaying an exclusive substrate preference for beta-D-galactopyranose
Resolution2.15 Å
Binding residue
(original residue number in PDB)		H56 Q60 R82 Y129 W131 W177 F359 D361 R362
Binding residue
(residue number reindexed from 1)		H42 Q46 R68 Y115 W117 W163 F345 D347 R348
Annotation score4
Binding affinityMOAD: Kd=9.8nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:1901982 maltose binding
Biological Process
GO:0015768 maltose transport
GO:0042956 maltodextrin transmembrane transport
GO:0045493 xylan catabolic process
Cellular Component
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:3oo6, PDBe:3oo6, PDBj:3oo6
PDBsum3oo6
PubMed21168419
UniProtQ27GR2

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