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2W98

CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE

Functional Information from GO Data
ChainGOidnamespacecontents
A0005515molecular_functionprotein binding
A0005737cellular_componentcytoplasm
A0006629biological_processlipid metabolic process
A0006693biological_processprostaglandin metabolic process
A0008270molecular_functionzinc ion binding
A0016491molecular_functionoxidoreductase activity
A0016628molecular_functionoxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
A0047522molecular_function15-oxoprostaglandin 13-oxidase [NAD(P)+] activity
B0005515molecular_functionprotein binding
B0005737cellular_componentcytoplasm
B0006629biological_processlipid metabolic process
B0006693biological_processprostaglandin metabolic process
B0008270molecular_functionzinc ion binding
B0016491molecular_functionoxidoreductase activity
B0016628molecular_functionoxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
B0047522molecular_function15-oxoprostaglandin 13-oxidase [NAD(P)+] activity
Functional Information from PDB Data
site_idAC1
Number of Residues36
DetailsBINDING SITE FOR RESIDUE NAP A 1350
ChainResidue
APRO50
AASN231
AVAL232
ACYS253
AGLY254
AGLN255
AILE256
ASER257
ATYR259
APHE287
AVAL289
ATHR139
AMET332
AMET333
AGLY335
AASN337
AP1Z1351
AHOH2218
AHOH2221
AHOH2222
AHOH2223
AHOH2224
AGLY165
AHOH2225
AHOH2226
AHOH2227
AHOH2228
AHOH2229
AHOH2231
AHOH2232
AALA166
ACYS167
ACYS187
AGLY188
ALYS192
ATYR208

site_idAC2
Number of Residues38
DetailsBINDING SITE FOR RESIDUE NAP B 1355
ChainResidue
BPRO50
BTHR139
BGLY165
BALA166
BCYS167
BCYS187
BGLY188
BLYS192
BTYR208
BASN231
BVAL232
BCYS253
BGLY254
BGLN255
BILE256
BSER257
BTYR259
BPHE287
BLEU288
BVAL289
BMET332
BMET333
BGLY335
BASN337
BP1Z1356
BHOH2231
BHOH2233
BHOH2237
BHOH2238
BHOH2239
BHOH2240
BHOH2241
BHOH2242
BHOH2243
BHOH2244
BHOH2245
BHOH2246
BHOH2247

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE P1Z B 1356
ChainResidue
BTYR51
BILE65
BTYR259
BTYR265
BLEU288
BVAL289
BNAP1355
BP1Z1358
BHOH2248

site_idAC4
Number of Residues11
DetailsBINDING SITE FOR RESIDUE P1Z A 1351
ChainResidue
ATYR51
ATYR64
APHE99
ACYS253
ATYR259
ATYR265
ALEU288
ALEU290
ANAP1350
AHOH2173
AHOH2233

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE P1Z A 1352
ChainResidue
AP1Z1353
APO41356
BTYR64
BP1Z1357
ATYR64
ATYR100
ALEU290
AASN291
ALYS293

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE P1Z B 1357
ChainResidue
ALYS293
AP1Z1352
AHOH2175
AHOH2177
BLEU290
BASN291
BLYS293
BASP294
BP1Z1358
BHOH2189

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE P1Z B 1358
ChainResidue
ATYR64
AHOH2048
BPHE99
BTYR100
BLEU290
BP1Z1356
BP1Z1357
BHOH2249

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE P1Z B 1359
ChainResidue
BTHR97
BGLU115
BPHE129
BLYS293
BPO41360
BHOH2072
BHOH2250

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE P1Z A 1353
ChainResidue
ATHR97
AGLU115
AVAL117
APHE129
APHE296
AGLU297
AP1Z1352
APO41355
AHOH2234

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE PO4 B 1360
ChainResidue
BGLY77
BSER98
BPHE99
BMET135
BP1Z1359
BHOH2251
BHOH2252

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 1354
ChainResidue
APRO102
AGLN104
AVAL107
AILE108
ALEU109
AHOH2235

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE PO4 A 1355
ChainResidue
AGLY78
ATHR97
ASER98
APHE99
APHE129
ALEU130
AP1Z1353
AHOH2237
AHOH2238

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 A 1356
ChainResidue
ATHR66
ATYR100
AP1Z1352
AHOH2239
BASP63
BTYR64

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE PO4 B 1361
ChainResidue
BPRO102
BGLN104
BVAL107
BILE108
BLEU109
BHOH2253

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE LMR B 1362
ChainResidue
AILE349
BPHE95
BNA1364

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CL B 1363
ChainResidue
BASP94
BPHE95
BLYS116
BVAL117
BHOH2033

site_idBC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NA B 1364
ChainResidue
BLMR1362

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues18
DetailsBINDING:
ChainResidueDetails
APHE99
BPHE99
BGLY165
BLYS192
BTYR208
BASN231
BCYS253
BPHE287
BLEU288
BASN337
AGLY165
ALYS192
ATYR208
AASN231
ACYS253
APHE287
ALEU288
AASN337

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1guf
ChainResidueDetails
ATHR60

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1guf
ChainResidueDetails
BTHR60

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PDB entries from 2024-11-06

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