Structure of PDB 6x95 Chain A Binding Site BS02

Receptor Information
>6x95 Chain A (length=182) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANISYGRGSS
DVAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTYNFKVTA
DDGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIWWDQGGD
YVFQPTLSADGGSTYFVLDSAILSSTGETPYT
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 chain6x95 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6x95 Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		D110 D111 D155 G157 D159
Binding residue
(residue number reindexed from 1)		D101 D102 D146 G148 D150
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links