Structure of PDB 6jah Chain A Binding Site BS03

Receptor Information
>6jah Chain A (length=404) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPVIRVAGDSTAVGEGGRWMKEMVEAWGKKTGTRVEYIDSPADTNDRLAL
YQQYWAARSPDVDVYMIDVIWPGIVAPHALDLKPYLTEAELKEFFPRIVQ
NNTIRGKLTSLPFFTDAGILYYRKDLLEKYGYTSPPRTWNELEQMAERVM
EGERRAGNRDFWGFVFQGKPYEGLTCDALEWIYSHGGGRIVEPDGTISVN
NGRAALALNRAHGWVGRIAPQGVTSYAEEEARNVWQQGNSLFMRNWPYAY
ALGQAEGSPIRGKFGVTVLPKASADAPNAATLGGWQLMVSAYSRYPKEAV
DLVKYLASYEVQKDNAVRLSRLPTRPALYTDRDVLARNPWFRDLLPVFQN
AVSRPSDVAGARYNQVSEAIWTEVHSVLTGRKKGEQAVRDLEARIRRILR
HHHH
Ligand information
Ligand IDBA6
InChIInChI=1S/C7H16O3/c8-5-3-1-2-4-7(10)6-9/h7-10H,1-6H2/t7-/m0/s1
InChIKeyCTRCJSPDRXFNNN-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCC(CO)O)CCO
OpenEye OEToolkits 2.0.6C(CC[C@@H](CO)O)CCO
CACTVS 3.385OCCCCC[CH](O)CO
ACDLabs 12.01OCCCCCC(O)CO
CACTVS 3.385OCCCCC[C@H](O)CO
FormulaC7 H16 O3
Name(2S)-heptane-1,2,7-triol
ChEMBL
DrugBank
ZINCZINC000002386045
PDB chain6jah Chain A Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6jah Structural and thermodynamic correlation illuminates the selective transport mechanism of disaccharide alpha-glycosides through ABC transporter.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		Y311 E312 K315 R334
Binding residue
(residue number reindexed from 1)		Y309 E310 K313 R332
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links