Structure of PDB 6uss Chain B Binding Site BS01

Receptor Information
>6uss Chain B (length=485) Species: 1263047 (Bacteroides fragilis CAG:558) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPNIILFMVDDMGWQDTSLPFWTQKTHYNEVYETPNMERLAKQGVMFTQA
YASSICSPTRCSLITGTNAARHRVTNWTYPKGQQTDRPSDVFNVADWNVN
GVCQVPNIDHTFQATSLAEILKDNGYHTIHCGKAHFGAVNTPGESPYHMG
FEVNIAGHAGGGLASYLGENNYGNRTDGKPNPWFAVPGLDKYWGTDTFVS
EALTLEAIKALNHAKEYNQPFFLYMAHYAIHVPIDKDKRFYQKYIDKGLT
PKEAAYAALIEGMDKSLGDLMDWLDKNGEADNTIVIFMSDNGGLSSEPGW
RDGKLHTQNSPLNSGKGSAYEGGVREPMIVRWPGVVKPDTKCDKYLIIED
FYPSILEMAQVKHYKTVQPIDGISFIPLLKQTGDPSKGRSLYWNFPNHWG
NDGPGIGPTCTVRKGDWKLIYYYENGKKELFNIPQDIGEKNNLAAQHPDI
VKHLSKDLGNYLRKVGGQRPSFKATGKPCPWPDEI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6uss Chain B Residue 601 [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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PDB6uss Structural Insights into Endobiotic Reactivation by Human Gut Microbiome-Encoded Sulfatases.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D42 D43 C88 D322 N323
Binding residue
(residue number reindexed from 1)		D10 D11 C56 D290 N291
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D42 D43 C88 R92 K165 H167 E201 H263 D322 N323 K348
Catalytic site (residue number reindexed from 1) D10 D11 C56 R60 K133 H135 E169 H231 D290 N291 K316
Enzyme Commision number ?
External links