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4KAF

Crystal Structure of Haloalkane dehalogenase HaloTag7 at the resolution 1.5A, Northeast Structural Genomics Consortium (NESG) Target OR151

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 Residues4
DetailsBINDING SITE FOR RESIDUE SCN A 401
ChainResidue
AASN51
AASP116
ATRP117
APRO216

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 402
ChainResidue
AGLU224
AALA226
AHOH715
BHOH581

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 403
ChainResidue
APRO184
AVAL187
AARG189
AHOH534
AARG40

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE NA A 404
ChainResidue
AASP21
AHIS23
AASP36
AMSE185
ANA405
AHOH523

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA A 405
ChainResidue
AASP21
AVAL37
AMSE185
ANA404

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SCN B 401
ChainResidue
BASN51
BASP116
BTRP117
BPHE215
BPRO216

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE NA B 402
ChainResidue
AHOH592
BGLU224
BALA226
BHOH736

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE NA B 403
ChainResidue
BGLU153
BHOH590
BHOH792

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 404
ChainResidue
BPHE18
BSER55
BASP75
BLYS81
BEDO405
BHOH557
BHOH744

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO B 405
ChainResidue
BPHE18
BPHE20
BPRO22
BHIS33
BLYS81
BEDO404
BHOH644

site_idBC2
Number of Residues10
DetailsBINDING SITE FOR RESIDUE PEG B 406
ChainResidue
AHOH595
BPHE91
BASP92
BASN227
BILE228
BLEU231
BHOH522
BHOH582
BHOH589
BHOH761

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Nucleophile => ECO:0000250
ChainResidueDetails
AASP116
BASP116

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250
ChainResidueDetails
AGLU140
BGLU140

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: Proton acceptor => ECO:0000250
ChainResidueDetails
AASN282
BASN282

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PDB entries from 2024-05-01

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