Structure of PDB 5m90 Chain B Binding Site BS01

Receptor Information
>5m90 Chain B (length=416) Species: 1150621 (Sulfurospirillum multivorans DSM 12446) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRQQFAMTAGSPIIVNDKLERYAEVRTAFTHPTSFFKPNYKGEVKPWFLS
AYDEKVRQIENGENGPKMKAKNVGEARAGRALEAAGWTLDINYGNIYPNR
FFMLWSGETMTNTQLWAPVGLDRRPPDTTDPVELTNYVKFAARMAGADLV
GVARLNRNWVYSEAVTIPADVPYEQSLHKEIEKPIVFKDVPLPIETDDEL
IIPNTCENVIVAGIAMNREMMQTAPNSMACATTAFCYSRMCMFDMWLCQF
IRYMGYYAIPSCNGVGQSVAFAVEAGLGQASRMGACITPEFGPNVRLTKV
FTNMPLVPDKPIDFGVTEFCETCKKCARECPSKAITEGPRTFEGRSIHNQ
SGKLQWQNDYNKCLGYWPESGGYCGVCVAVCPFTKNITEVWDGKINTYGL
DADHFRDTVSFRKDRV
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5m90 Chain B Residue 501 [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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PDB5m90 Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Resolution1.599 Å
Binding residue
(original residue number in PDB)		R291 M292 I296 F328 C329 C332 K333 C335 C390 P391 F392
Binding residue
(residue number reindexed from 1)		R282 M283 I287 F319 C320 C323 K324 C326 C381 P382 F383
Annotation score4
External links