Structure of PDB 7ndr Chain D Binding Site BS01

Receptor Information
>7ndr Chain D (length=293) Species: 34028 (Comamonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNQPLKIVVPFSAGGTADVLPRLVAEKIRADYAGGVIIENKPGAGGNIGA
DLVFRAPPDGMTVLASPPGPIAINHNLYQKLSFDPTRWVPVTILATVPNV
LVINPKLPVKSLGEFIAYAKANPKKVTVATQGDGSTSHLTAAMFMQLTGT
ELTVIPYKGTAPALIDLIGGNVDVFFDNISSSATYHQAGKVRILAVADEQ
RSQILPQVPTFAEQQWPAMQAVTFFSVVAPPGTSAEIAQKLQKQMALALS
SNDIRKHFQEQGAVPCGWDPSKTAQFIRQETEKWKKVLKAANV
Ligand information
Ligand IDEDO
InChIInChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKeyLYCAIKOWRPUZTN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		OCCO
OpenEye OEToolkits 1.5.0C(CO)O
FormulaC2 H6 O2
Name1,2-ETHANEDIOL;
ETHYLENE GLYCOL
ChEMBLCHEMBL457299
DrugBank
ZINCZINC000005224354
PDB chain7ndr Chain D Residue 401 [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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PDB7ndr Structural basis of terephthalate recognition by solute binding protein TphC.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		F73 S101 F102 D103 R106
Binding residue
(residue number reindexed from 1)		F54 S82 F83 D84 R87
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links