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5UXZ

X-ray crystal structure of Halotag bound to the P9 benzothiadiazole fluorogenic ligand

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0009636biological_processresponse to toxic substance
A0016787molecular_functionhydrolase activity
A0018786molecular_functionhaloalkane dehalogenase activity
B0003824molecular_functioncatalytic activity
B0009636biological_processresponse to toxic substance
B0016787molecular_functionhydrolase activity
B0018786molecular_functionhaloalkane dehalogenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues13
Detailsbinding site for residue 8PM A 401
ChainResidue
AASN41
AVAL245
ALEU246
AASN272
ACL402
AASP106
ATRP141
APRO142
AALA145
APHE149
ATHR172
AMET175
AGLY176

site_idAC2
Number of Residues4
Detailsbinding site for residue CL A 402
ChainResidue
AASN41
ATRP107
APRO206
A8PM401

site_idAC3
Number of Residues3
Detailsbinding site for residue EDO A 403
ChainResidue
AARG30
AARG60
ALEU95

site_idAC4
Number of Residues6
Detailsbinding site for residue EDO A 404
ChainResidue
AGLY5
ATHR6
AGLY7
APRO9
AARG49
AASN50

site_idAC5
Number of Residues4
Detailsbinding site for residue CL B 402
ChainResidue
BASN41
BTRP107
BPRO206
B8PM401

site_idAC6
Number of Residues17
Detailsbinding site for Di-peptide 8PM B 401 and ASP B 106
ChainResidue
BGLY40
BASN41
BHIS105
BTRP107
BGLY108
BSER109
BALA110
BGLU130
BILE132
BTRP141
BALA145
BPHE149
BTHR172
BMET175
BVAL245
BASN272
BCL402

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Nucleophile => ECO:0000250
ChainResidueDetails
AASP106
BASP106

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250
ChainResidueDetails
AGLU130
BGLU130

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AASN272
BASN272

223166

PDB entries from 2024-07-31

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