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3AUJ

Structure of diol dehydratase complexed with glycerol

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0016829molecular_functionlyase activity
A0016836molecular_functionhydro-lyase activity
A0031419molecular_functioncobalamin binding
A0046872molecular_functionmetal ion binding
A0050215molecular_functionpropanediol dehydratase activity
B0016829molecular_functionlyase activity
B0050215molecular_functionpropanediol dehydratase activity
E0016829molecular_functionlyase activity
E0050215molecular_functionpropanediol dehydratase activity
G0016829molecular_functionlyase activity
G0050215molecular_functionpropanediol dehydratase activity
L0003824molecular_functioncatalytic activity
L0016829molecular_functionlyase activity
L0016836molecular_functionhydro-lyase activity
L0031419molecular_functioncobalamin binding
L0046872molecular_functionmetal ion binding
L0050215molecular_functionpropanediol dehydratase activity
M0016829molecular_functionlyase activity
M0050215molecular_functionpropanediol dehydratase activity
Functional Information from PDB Data
site_idAC1
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 1602
ChainResidue
AHIS143
ACA1603
AGLU170
AGLU221
ATHR222
AGLN296
ASER301
AASP335
AGLN336
ASER362

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 1603
ChainResidue
AGLN141
AGLU170
AGLU221
AGLN296
ASER362
AGOL1602

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 A 1401
ChainResidue
ALYS414
AARG417
APHE482
AHOH914

site_idAC4
Number of Residues36
DetailsBINDING SITE FOR RESIDUE B12 B 1601
ChainResidue
ATHR172
AVAL173
AALA174
ASER202
AGLU205
ATHR222
ASER224
AASP234
AGLN267
AMET268
ASER301
AGLN336
AMET373
APHE374
AHOH747
BASP112
BVAL113
BLYS135
BTHR137
BLEU148
BASN150
BLEU153
BPRO155
BGLN156
BALA157
BPRO158
BARG193
BTYR196
BSER200
BHOH225
BHOH227
BHOH229
BHOH235
BHOH243
BHOH414
BHOH1079

site_idAC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 B 1406
ChainResidue
BARG174
BGLN182

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE PO4 G 1403
ChainResidue
GTHR75
GALA76
GGLN77
GHOH355
GHOH555

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL L 2602
ChainResidue
LHIS143
LGLU170
LGLU221
LTHR222
LGLN296
LSER301
LASP335
LGLN336
LSER362
LPHE374
LCA2603

site_idAC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA L 2603
ChainResidue
LGLN141
LGLU170
LGLU221
LGLN296
LSER362
LGOL2602

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE PO4 L 1402
ChainResidue
LLYS414
LARG417
LHOH822
LHOH1016

site_idBC1
Number of Residues36
DetailsBINDING SITE FOR RESIDUE B12 E 2601
ChainResidue
EHOH232
EHOH234
EHOH239
EHOH240
EHOH247
EHOH437
LTHR172
LVAL173
LALA174
LSER202
LGLU205
LTHR222
LSER224
LASP234
LGLN267
LMET268
LSER301
LGLN336
LMET373
LPHE374
LHOH814
EASP112
EVAL113
ELYS135
ETHR137
ELEU148
EASN150
ELEU153
EPRO155
EGLN156
EALA157
EPRO158
EARG193
ETYR196
ESER200
EHOH229

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE PO4 E 1405
ChainResidue
EARG174
EGLN182

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 M 1404
ChainResidue
MTHR75
MALA76
MGLN77
MHOH467
MHOH680
MHOH1258

Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 494
ChainResidueDetails
AGLN141metal ligand
AHIS143radical stabiliser
AGLU170metal ligand, proton shuttle (general acid/base)
AGLU221metal ligand
AGLN296metal ligand
AASP335radical stabiliser
ASER362metal ligand

site_idMCSA2
Number of Residues7
DetailsM-CSA 494
ChainResidueDetails

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PDB entries from 2026-02-11

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