Structure of PDB 8vih Chain B Binding Site BS01

Receptor Information
>8vih Chain B (length=433) Species: 43989 (Crocosphaera subtropica ATCC 51142) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFIKSQLPIFLNNCTQDSVINYFQNSWELENILMRSIIDDETFYINPDPL
RNPLIFYLGHSAAFYINKLIRVELLEKGINSDYEILFENAENQIAHINWP
DVRQVWDYRNKAYEVILEVIKNTTFDLPIHASHPLWALMMGMEHQRIHFE
TSSMLLRQLPTEKVEKPQGWQYAPSQNKMILVEGGTVTLGKAKDNPLYGW
DCEYGDRLVKVDSFFASQYLVTNGEFLEFINRKGYETQSYWNEKSWQWKE
ENKVKNPKFWQFNNGKYSYRAMFDEIPLPLDWPVEVNYYEAMAYCGWKGK
GTRLMSEAEWNLAAYGSNDNYQVDIEKVNDYNLNLKFGSPSPVGLVKTAQ
SHSGLWDLRGNVWEWLDENFHPLPGFEPHFLYEDNSAPFFDNNHKMMLGG
AWVTQGTETLKYYRNWFRPNFYQHAGFRIVTNH
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain8vih Chain B Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8vih Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA
Resolution1.55 Å
Binding residue
(original residue number in PDB)		H61 H154 H158
Binding residue
(residue number reindexed from 1)		H60 H144 H148
Annotation score4
External links