Structure of PDB 8w14 Chain B Binding Site BS01

Receptor Information
>8w14 Chain B (length=147) Species: 1310618 (Acinetobacter baumannii 118362) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAEDILAKAQQYAQEHELNFSGSLSPVDAWQLVQQGEAVLVDVRTNEERK
FVGYVPESIHVAWATGTSFNRNPRFLKELESKVGKDKTILLLCRSGNRST
QAAEAAFNAGFEHIYNVLEGFEGDLNEQQQRNQKNGWRIHQLPWQQD
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain8w14 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8w14 Structural and biochemical characterization of an encapsulin-associated rhodanese from Acinetobacter baumannii.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		R94 S95 N97 R98
Binding residue
(residue number reindexed from 1)		R94 S95 N97 R98
Annotation score3
External links