Structure of PDB 5m8x Chain B Binding Site BS04

Receptor Information
>5m8x Chain B (length=420) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKP
WFLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNI
YPNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAG
ADLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIET
DDELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMW
LCQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVR
LTKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRS
IHNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKNITEVWDGKIN
TYGLDADHFRDTVSFRKDRV
Ligand information
Ligand IDTC7
InChIInChI=1S/C6H3Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKeyLHJGJYXLEPZJPM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1cc(O)c(Cl)cc1Cl
OpenEye OEToolkits 1.5.0c1c(c(cc(c1Cl)Cl)Cl)O
CACTVS 3.341Oc1cc(Cl)c(Cl)cc1Cl
FormulaC6 H3 Cl3 O
Name2,4,5-trichlorophenol
ChEMBLCHEMBL109095
DrugBank
ZINCZINC000000002215
PDB chain5m8x Chain B Residue 505 [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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PDB5m8x Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.869 Å
Binding residue
(original residue number in PDB)		F38 W56 W96 Y102 Y246 W376 Y382
Binding residue
(residue number reindexed from 1)		F33 W51 W91 Y97 Y241 W371 Y377
Annotation score1
External links