Structure of PDB 6bea Chain A Binding Site BS01

Receptor Information
>6bea Chain A (length=433) Species: 199310 (Escherichia coli CFT073) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STVSTDPVTLNTEKTTLDQDVVINGDNKITAVTIETSDSDKDLNVTFGGH
DITATSTVNQDFVEGVKVSGNKNVVINATDSTITAQGEGTYVRTAMVIDS
TGDVVVNGGNFVAKNEKGSATGISLEATTGNNLTLNGTTINAQGNKSYSN
GSTAIFAQKGNLLQGFDGDATDNITLADSNIINGGIETIVTAGNKTGIHT
VNLNIKDGSVIGAANNKQTIYASASAQGAGSATQNLNLSVADSTIYSDVL
ALSESENSASTTTNVNMNVARSYWEGNAYTFNSGDKAGSDLDINLSDSSV
WKGKVSGAGDASVSLQNGSVWNVTGSSTVDALAVKDSTVNITKATVNTGT
FASQNGTLIVDASSENTLDISGKASGDLRVYSAGSLDLINEQTAFISTGK
DSTLKATGTTEGGLYQYDLTQGADGNFYFVKNT
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 chain6bea Chain A Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bea Unique structural features of a bacterial autotransporter adhesin suggest mechanisms for interaction with host macromolecules.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		G315 N316
Binding residue
(residue number reindexed from 1)		G276 N277
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links