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1B6G

HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING CHLORIDE

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0009636biological_processresponse to toxic substance
A0016787molecular_functionhydrolase activity
A0018786molecular_functionhaloalkane dehalogenase activity
A0019260biological_process1,2-dichloroethane catabolic process
Functional Information from PDB Data
site_idAC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE SO4 A 1101
ChainResidue
AHOH2255
AHOH2267
AHOH2422
AHOH2522
AHOH2581
AHOH2606
ALEU25
AASP26
AARG112
AALA227
AGLN228
AHOH2092

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1998
ChainResidue
AGLU56
ATRP125
ATRP175
APRO223
AHOH2197

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL A 1999
ChainResidue
AALA195
APRO196
ATHR197
AHOH2012
AHOH2150

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1201
ChainResidue
AALA4
AARG6
AGLY33
AASP89
AHOH2296
AHOH2298
AHOH2397
AHOH2605

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1202
ChainResidue
APRO8
AASP9
AGLN10
AGLU280
AHOH2145
AHOH2158
AHOH2368

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL A 1203
ChainResidue
AARG193
APRO196
ALYS261
AHOH2062
AHOH2097
AHOH2120
AHOH2334
AHOH2393
AHOH2554
AHOH2564
AHOH2580

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 1204
ChainResidue
AASP93
AGLU94
AGLU95
AHOH2103
AHOH2325
AHOH2330
AHOH2451
AHOH2608
AHOH2609

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1205
ChainResidue
AARG103
AMET135
AGLU239
AHOH2136
AHOH2283
AHOH2339
AHOH2409
AHOH2589

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 1206
ChainResidue
ALYS65
AGLU293
APHE294
AGLY295
AGLU296
AGLN297
AHOH2349

site_idACT
Number of Residues3
DetailsCATALYTIC TRIAD RESIDUES
ChainResidue
AASP124
AHIS289
AASP260

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 1207
ChainResidue
AGLN10
AARG11
AASN14
ATHR309
AHOH2069
AHOH2214
AHOH2391
AHOH2610

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Nucleophile
ChainResidueDetails
AASP124

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton donor
ChainResidueDetails
AASP260

site_idSWS_FT_FI3
Number of Residues1
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AHIS289

site_idSWS_FT_FI4
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10393294, ECO:0000269|PubMed:8515812
ChainResidueDetails
ATRP125

site_idSWS_FT_FI5
Number of Residues1
DetailsBINDING: BINDING => ECO:0000269|PubMed:10393294, ECO:0000269|PubMed:8515812, ECO:0007744|PDB:2DHD, ECO:0007744|PDB:2DHE
ChainResidueDetails
ATRP175

Catalytic Information from CSA
site_idCSA1
Number of Residues3
Detailsa catalytic site defined by CSA, PubMed 10393294
ChainResidueDetails
AHIS289
AASP124
AASP260

site_idMCSA1
Number of Residues5
DetailsM-CSA 415
ChainResidueDetails
AASP124covalent catalysis
ATRP125electrostatic stabiliser
ATRP175electrostatic stabiliser
AASP260activator, electrostatic stabiliser
AHIS289proton shuttle (general acid/base)

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PDB entries from 2024-10-16

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