Structure of PDB 6x8d Chain A Binding Site BS01

Receptor Information
>6x8d Chain A (length=180) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANISYGRGSSD
VAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTYNFKVTAD
DGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIWWDQGGDY
VFQPTLSADGGSTYFVLDSAILSSTGETPY
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 chain6x8d Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6x8d Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Resolution1.0 Å
Binding residue
(original residue number in PDB)		D110 D111 D155 G157 D159
Binding residue
(residue number reindexed from 1)		D100 D101 D145 G147 D149
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links