Structure of PDB 5m8y Chain B Binding Site BS04

Receptor Information
>5m8y 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 ID3CH
InChIInChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKeyHORNXRXVQWOLPJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc1cc(O)ccc1
OpenEye OEToolkits 1.5.0c1cc(cc(c1)Cl)O
CACTVS 3.341Oc1cccc(Cl)c1
FormulaC6 H5 Cl O
Name3-CHLOROPHENOL
ChEMBLCHEMBL41172
DrugBankDB01957
ZINCZINC000000404329
PDB chain5m8y 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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PDB5m8y Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.857 Å
Binding residue
(original residue number in PDB)		F38 W56 W96 Y102 Y246 W376 Y382
Binding residue
(residue number reindexed from 1)		F32 W50 W90 Y96 Y240 W370 Y376
Annotation score1
External links