About This Database

(Drug Search)Known binding site similarity

Data description

Data name

DOI

Description of data contents

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

Data file

File name :

possum_binding_sites_known_similarity.zip

File URL :

File size :

2.4 MB

Simple search URL

Data acquisition method

PDB

Data analysis method

Number of data entries

50,626 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