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4KAJ

X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0009636biological_processresponse to toxic substance
A0016020cellular_componentmembrane
A0016787molecular_functionhydrolase activity
A0018786molecular_functionhaloalkane dehalogenase activity
Functional Information from PDB Data
site_idAC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 1Q9 A 301
ChainResidue
AASN41
AGLY176
AVAL245
AASN272
ALEU273
APRO42
AASP106
ATRP107
ATRP141
AALA145
APHE149
APHE168
ATHR172

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MN A 302
ChainResidue
AHIS-5
AHIS-7
AGLY19
AHOH424
AHOH425
AHOH471

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MN A 303
ChainResidue
AASP76
AHOH490
AHOH546
AHOH585
AHOH628

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 304
ChainResidue
AHIS188
AGLU191
AEDO306
AHOH428

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NA A 305
ChainResidue
AGLU183
AASP187

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 306
ChainResidue
APHE8
ASER44
ASER45
AASP65
ALYS71
ANA304
AHOH428
AHOH465

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO A 307
ChainResidue
AASP187
AGLU191
AASN195
AVAL197

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 308
ChainResidue
AGLU191
AASN195
AASP198
AHOH574

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsActive site: {"description":"Nucleophile","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues1
DetailsActive site: {"description":"Proton donor","evidences":[{"evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

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PDB entries from 2026-03-11

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