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3RGA

Crystal structure of epoxide hydrolase for polyether lasalocid A biosynthesis

Functional Information from GO Data
ChainGOidnamespacecontents
A0016853molecular_functionisomerase activity
A0017000biological_processantibiotic biosynthetic process
Functional Information from PDB Data
site_idAC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE LSB A 301
ChainResidue
ATYR14
AVAL102
AGLY104
AILE106
AVAL119
ATRP121
AHOH435
ACYS15
AASP38
ALEU55
AGLU65
ALEU81
AVAL85
AVAL87
ATHR100

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE ILD A 302
ChainResidue
AASP170
ATRP175
AARG177
AHIS186
AMET189
AALA190
AGLU197
ALEU228
AHIS231
AILE249
ATYR251
ATRP270
AFMT310
AFMT311

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 303
ChainResidue
AARG167
AGLU169
ATHR176
AGLU265
AARG267

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL A 304
ChainResidue
APRO39
AARG131
AGLU136
AGLN206
AGLN206
AHOH423
AHOH486
AHOH515

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE ACT A 305
ChainResidue
AARG35
AGLU116

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 306
ChainResidue
AHIS74
AASP152
AHIS231
AHIS232

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE FMT A 309
ChainResidue
AGLU137
ALYS140
ATHR202
AHOH417

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE FMT A 310
ChainResidue
AHIS146
AILE150
AHIS186
AALA190
AGLU197
AILD302

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FMT A 311
ChainResidue
AARG177
AHIS186
ATHR198
AILD302
AHOH449
AHOH461
AHOH495

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE NA A 312
ChainResidue
AVAL123
ASER126
ATHR129
AHOH447
AHOH452

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: Proton acceptor; for 5-exo epoxide-opening cyclization activity => ECO:0000269|PubMed:22388816
ChainResidueDetails
AASP38

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Proton acceptor; for 6-endo epoxide-opening cyclization activity => ECO:0000269|PubMed:22388816
ChainResidueDetails
AASP170

site_idSWS_FT_FI3
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:22388816
ChainResidueDetails
ATYR14
AGLU65
AHIS146
AARG177
AGLU197
ATYR251

site_idSWS_FT_FI4
Number of Residues1
DetailsSITE: Raises pKa of active site Asp-38
ChainResidueDetails
AARG54

site_idSWS_FT_FI5
Number of Residues1
DetailsSITE: Raises pKa of active site Asp-170
ChainResidueDetails
AHIS186

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PDB entries from 2024-11-13

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