Structure of PDB 6x6q Chain A Binding Site BS02

Receptor Information
>6x6q Chain A (length=505) Species: 178399 (Marinomonas primoryensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATAGTVTVNAITSDDTIDGIELGQTISISGKAVGGDISVGDVVKMTINNT
EYSTTVKAGGIWMIAGVLGSDLAADSEFDVVVTSSDAAGNKVQSIGTSTH
SVDLSAEANFSLAEGQQHVLTNLPEGFGFPDGTTEVVTNFGGTITLGDDG
EYRYDAPVRDHGDAVSDKDSVTVTLEDGRTFTVNLDIQDSAPVAVDDQDS
IVVQHEEFEVSEIAASWVSYTHGESVTTFDGTSDLGGVDNDSAKDQIRWG
NPAESKQSGYGFIDNDSNLEGRFDLNQDISVGTFTHYNYPVYSGGAITSA
EMSVEFSVLDHLGVSTPVTLTVNFDHNETPNTNDVNASRDIVTVQNTHVT
FERDGDIYTVQIVGFREVGNPDGEVVTSIYTNENAATSYELVVRVVEGDG
YSLPSTEGNIFDDNGLGADSLGADGSVTVVGVAVGAIVSSNESVGHSIEG
QYGNLVLNSDGSYVYDVTASVSDIPAGATESFAYLIQDQDGSTSSANLSI
NVGTN
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 chain6x6q Chain A Residue 2601 [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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PDB6x6q Molecular basis for a bacterial adhesins peptide-binding module
Resolution2.17 Å
Binding residue
(original residue number in PDB)		D77 E79
Binding residue
(residue number reindexed from 1)		D75 E77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links