Structure of PDB 2xwg Chain B Binding Site BS01

Receptor Information
>2xwg Chain B (length=185) Species: 544580 (Actinomyces oris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGPETIAKERASAETYNNNLESAPILDPWLESQRPDTPQYQAYLHEMDID
PVMARIVIPSIHVSLPIYHGTDSRTLTEGVGHLFGTSLPVGGPSTHSVLT
GHTGLSTATMFDNLNQLKKGDVFYVSSLGQTLKYEVNDITVVKPEETDSL
RKVPGRDLVTLITCTPYGVNSHRLLVTGERVPMDP
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 chain2xwg Chain B Residue 1288 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xwg Structure of the Sortase Acsrtc-1 from Actinomyces Oris
Resolution2.4 Å
Binding residue
(original residue number in PDB)
E111 H147
Binding residue
(residue number reindexed from 1)
E9 H45
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links