Structure of PDB 6e3f Chain A Binding Site BS01

Receptor Information
>6e3f Chain A (length=497) Species: 1338 (Streptococcus intermedius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YKLAVQPQVNKEIKNNNDVDIDKTLVAKQSVVKFQLKTADLPAGRAKTTS
FVLVDPLPSGYQFNLEATKAASPGFDVSYDKATNTVTFKATAATLATFNA
DLTKSVATIYPTVVGQVLNDGATYKNNFTLTVNDAYGIKSNVVRVTTPGK
PNDPDNPNNNYIKPTKVNKNENGVVIDGKTVLAGSTNYYELTWDLDQYKN
DRSSADTIQKGFYYVDDYPEEALELRQDLVKITDANGNKVTGVSVDHYTS
LEAAPQEVRDVLSKAGIRPKGAFQIFRADNPREFYDTYVKNGIDLKIVSP
MVVKKQMGQTGGSYENQAYQIDFGNGYASNIVINNVPKINPKKDVTLTLD
PADTNNVDGQTIPLNTVFNYRLIGGIIPADHSEELFEYNFYDDYDQTGDR
YTGQYKVFAKVDITLKDGSVIKSGTDLTQHTTAEVDATKGALTIKFKEDF
LRSVSIDSAFQAESYIQMKRIAAGTFENTYVNTVNKVAYASENLYFQ
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 chain6e3f Chain A Residue 1301 [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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PDB6e3f Structure-Function Characterization of Streptococcus intermedius Surface Antigen Pas.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		Y911 D944 D946 Q947
Binding residue
(residue number reindexed from 1)		Y161 D194 D196 Q197
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6e3f, PDBe:6e3f, PDBj:6e3f
PDBsum6e3f
PubMed34339301
UniProtQ9KW51|PAS_STRIT Probable cell-surface antigen I/II (Gene Name=pas)

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