Structure of PDB 6xa5 Chain A Binding Site BS06

Receptor Information
>6xa5 Chain A (length=187) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQDDSTPDSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANIS
YGRGSSDVAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTY
NFKVTADDGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIW
WDQGGDYVFQPTLSADGGSTYFVLDSAILSSTGETPY
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 chain6xa5 Chain A Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xa5 Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Resolution1.03 Å
Binding residue
(original residue number in PDB)		Q5 D7 T9 D11
Binding residue
(residue number reindexed from 1)		Q2 D4 T6 D8
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links