Structure of PDB 4ofq Chain A Binding Site BS01

Receptor Information
>4ofq Chain A (length=337) Species: 319701 (Streptococcus pyogenes MGAS6180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDNLIQPTKTIVDDKGQSIDGKSVLPNSTLTYVAKQDFDQYKGMTAAKES
VMKGFIYVDDYKDEAIDGHSLVVNSIKAANGDDVTNLLEMRHVLSQDTLD
DKLKALIKASGISPVGEFYMWVAKDPAAFYKAYVQKGLDITYNLSFKLKQ
DFKKGDITNQTYQIDFGNGYYGNIVVNHLSELTVHKDVFDKEGGQSINAG
TVKVGDEVTYRLEGWVVPTNRGYDLTEYKFVDQLQHTHDLYQKDKVLATV
DITLSDGSVITKGTDLAKYTETVYNKETGHYELAFKQDFLAKVVRSSEFG
ADAFVVVKRIKAGDVANEYTLYVNGNPVKSNKVTTHT
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 chain4ofq Chain A Residue 1401 [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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PDB4ofq Structure of the C-terminal domain of AspA (antigen I/II-family) protein from Streptococcus pyogenes.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D1029 Y1030 V1084 G1085 E1086
Binding residue
(residue number reindexed from 1)		D60 Y61 V115 G116 E117
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links