Structure of PDB 5ma0 Chain B Binding Site BS04

Receptor Information
>5ma0 Chain B (length=419) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAEIRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPW
FLSAYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIY
PNRFFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGA
DLVGVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETD
DELIIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWL
CQFIRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRL
TKVFTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRSI
HNQSGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKNITEVWDGKINT
YGLDADHFRDTVSFRKDRV
Ligand information
Ligand IDDUB
InChIInChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKeyHOLHYSJJBXSLMV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(c(c1)Cl)O)Cl
CACTVS 3.385Oc1c(Cl)cccc1Cl
FormulaC6 H4 Cl2 O
Name2,6-dichlorophenol
ChEMBLCHEMBL282597
DrugBank
ZINCZINC000000164836
PDB chain5ma0 Chain B Residue 506 [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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PDB5ma0 Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F38 W96 Y102 Y246 W376 Y382
Binding residue
(residue number reindexed from 1)		F32 W90 Y96 Y240 W370 Y376
Annotation score1
External links