About This Database

(Drug Search)Known binding site similarity

Data description

Data name

DOI

Description of data contents

Similarity data between known/potential binding sites in (Drug Search) query and target sites

Data file

File name :

possum_binding_sites_putative_similarity.zip

File URL :

File size :

5 MB

Simple search URL

Data acquisition method

PDB

Data analysis method

Number of data entries

113,495 entries

Data detail

Data item	Description
Q:PocketIndex	Internal ID for query site
Ｔ:PocketIndex	Internal ID for target site
Q:PDB_ID	PDB ID for query site
T:PDB_ID	PDB ID for target site
Q:HET_Code	HED code for query site
T:HET_Code	HED code for target site
Q:ChainID	ID for the chain where the query site is
T:ChainID	ID for the chain where the target site is
Q:Res.No.	Residence number for the amino acid where the query site is
T:Res.No.	Residence number for the amino acid where the target site is
AlignedLength	Length of amino acid alignment
RMSD	Root Mean Square Deviation
AminoIdentity	Amino acid match rate
Q:MolName	Molecular name of the query site
T:MolName	Molecular name of the target site
Q:EC	EC ID for the query site
T:EC	EC ID for the target site
Q:CATH	CATH ID for the query site
T:CATH	CATH ID for the target site
Q:SCOPe	SCOPe ID for the query site
T:SCOPe	SCOPe ID for the target site
Q:UniProt	UniProt ID for the query site
T:UniProt	UniProt ID for the target site
Q:UniRef50	UniRef50 cluster ID for the query site (when it is analysed)
T:UniRef50	UniRef50 cluster ID for the target site (when it is analysed)
EC_Df	Different or not between query and target site in EC ID
CATH_Df	Different or not between query and target site in CATH ID
SCOPe_Df	Different or not between query and target site in SCOPe ID
ChEMBL_Assay	Assay data in ChEMBL or none
AlignedResidues	Amino acid alignment result