Structure of PDB 6e3f Chain A Binding Site BS02

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 1302 [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)		D967 Y968 E970 K1020 A1022
Binding residue
(residue number reindexed from 1)		D217 Y218 E220 K270 A272
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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