Structure of PDB 8vii Chain B Binding Site BS03

Receptor Information
>8vii Chain B (length=443) Species: 43989 (Crocosphaera subtropica ATCC 51142) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMSFIKSQLPIFLNNCTQDSVINYFQNSWELENILMRSIIDDETFYINPD
PLRNPLIFYLGHSAAFYINKLIRVELLKGINSDYEILFEFGVDPENAEEL
NQAIAHINWPDVRQVWDYRNKAYEVILEVIKNTTFDLPIHASHPLWALMM
GMEHQRIHFETSSMLLRQLPTEKVEKPQGWQYAPSQNKMILVEGGTVTLG
KAKDNPLYGWDCEYGDRLVKVDSFFASQYLVTNGEFLEFINRKGYETQSY
WNEKSWQWKEENKVKNPKFWQFNNGKYSYRAMFDEIPLPLDWPVEVNYYE
AMAYCGWKGKGTRLMSEAEWNLAAYGSNDNYQVDIEKVNDYNLNLKFGSP
SPVGLVKTAQSHSGLWDLRGNVWEWLDENFHPLPGFEPHFLYEDNSAPFF
DNNHKMMLGGAWVTQGTETLKYYRNWFRPNFYQHAGFRIVTNH
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain8vii Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8vii Structural insights into the convergent evolution of type IV sulfoxide synthase EgtB, an ergothioneine-biosynthetic homolog of ovothiol synthase OvoA
Resolution1.621 Å
Binding residue
(original residue number in PDB)		R52 Y58 H61 G91 V92 H158
Binding residue
(residue number reindexed from 1)		R53 Y59 H62 G91 V92 H158
Annotation score4
External links