Structure of PDB 5m92 Chain B Binding Site BS05

Receptor Information
>5m92 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 IDY8I
InChIInChI=1S/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKeyFAXWFCTVSHEODL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1Br)Br)O
CACTVS 3.385Oc1ccc(Br)cc1Br
FormulaC6 H4 Br2 O
Name2,4-bis(bromanyl)phenol
ChEMBLCHEMBL186858
DrugBank
ZINCZINC000000358476
PDB chain5m92 Chain B Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5m92 Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.785 Å
Binding residue
(original residue number in PDB)		F57 L58 H187
Binding residue
(residue number reindexed from 1)		F51 L52 H181
Annotation score1
External links