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1XOQ

Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast

Functional Information from GO Data
ChainGOidnamespacecontents
A0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
A0007165biological_processsignal transduction
A0008081molecular_functionphosphoric diester hydrolase activity
B0004114molecular_function3',5'-cyclic-nucleotide phosphodiesterase activity
B0007165biological_processsignal transduction
B0008081molecular_functionphosphoric diester hydrolase activity
Functional Information from PDB Data
site_idAC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1001
ChainResidue
AHIS164
AHIS200
AASP201
AASP318
AHOH1010
AHOH1011

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1002
ChainResidue
AHOH1008
AHOH1009
AHOH1010
AASP201
AHOH1006
AHOH1007

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1001
ChainResidue
BHIS164
BHIS200
BASP201
BASP318
BHOH2007
BHOH2008

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1002
ChainResidue
BASP201
BHOH2003
BHOH2004
BHOH2005
BHOH2006
BHOH2007

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 1003
ChainResidue
APRO411
BGLU366
BTYR406
BHOH2051

site_idAC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 1003
ChainResidue
ALYS262
AILE265
AASP266
AHOH1038
BASN224

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1004
ChainResidue
ATRP405
AHOH1085
BHOH2100

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1004
ChainResidue
AASN115
AGLU150
AASP151
ATYR153
AASN162
AHOH1093
AHOH1123
BGLN407

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 1005
ChainResidue
BSER208
BPRO356
BHOH2015

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 1005
ChainResidue
APRO179
ASER295
AGLY296
AHIS389
APRO390
AASP391

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 415
ChainResidue
AASN115
AALA155
AASN161
AASN162
AILE163
AHOH1123

site_idBC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 416
ChainResidue
ALEU175
ATHR178
ATRP384
AVAL388
AASP391
AALA392
AHOH1148

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 417
ChainResidue
BPHE238
BPHE249
BARG257
BEDO418
BHOH2097

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 418
ChainResidue
BARG257
BGLN258
BARG261
BEDO417
BHOH2163

site_idBC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 419
ChainResidue
AALA183
AVAL184
AHOH1071
BASN115
BARG116

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 420
ChainResidue
APHE238
APHE249
AARG257
AARG261
AHOH1172

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 422
ChainResidue
ASER208
APHE340
APRO356
AHOH1043
AHOH1181

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 425
ChainResidue
AASN224
BLYS262
BILE265
BASP266
BHOH2029

site_idCC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 427
ChainResidue
BASN402
BEDO428
BHOH2044

site_idCC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE EDO B 428
ChainResidue
AGLU366
BEDO427

site_idCC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO A 429
ChainResidue
AASP151
AHIS152
BASP374
BTYR375
BHOH2105

site_idCC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO B 430
ChainResidue
BASP156
BVAL157
BALA158
BGLU339
BARG342
BHOH2037
BHOH2058
BHOH2120

site_idCC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO A 433
ChainResidue
AHIS154
AASP203
APRO205

site_idCC6
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 434
ChainResidue
BASN115
BALA155
BASN162
BHOH2055
BHOH2181

site_idCC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE EDO B 441
ChainResidue
BMET273
BMET277
BHOH2063

site_idCC8
Number of Residues1
DetailsBINDING SITE FOR RESIDUE EDO A 444
ChainResidue
AHOH1048

site_idCC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 445
ChainResidue
AASP156
AVAL157
AALA158
AGLU339
AARG342
AHOH1042

site_idDC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE EDO B 448
ChainResidue
BSER368
BPHE372
BILE376
BROF501

site_idDC2
Number of Residues17
DetailsBINDING SITE FOR RESIDUE ROF A 502
ChainResidue
AHIS160
ATHR271
AMET273
AASP318
ALEU319
AASN321
APRO322
ATYR329
ATRP332
ATHR333
AILE336
AMET357
ASER368
AGLN369
APHE372
AHOH1008
AHOH1015

site_idDC3
Number of Residues18
DetailsBINDING SITE FOR RESIDUE ROF B 501
ChainResidue
BHIS160
BTHR271
BMET273
BASP318
BLEU319
BASN321
BPRO322
BTYR329
BTRP332
BTHR333
BILE336
BMET357
BGLN369
BPHE372
BEDO448
BHOH2005
BHOH2009
BHOH2101

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDVdHpGvsNqF
ChainResidueDetails
AHIS200-PHE211

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q07343
ChainResidueDetails
AHIS160
BHIS160

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7
ChainResidueDetails
AHIS160
AASN321
AGLN369
BHIS160
BASN321
BGLN369

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:2PW3
ChainResidueDetails
AHIS164
BHIS164

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:1XOR, ECO:0007744|PDB:2PW3
ChainResidueDetails
AHIS200
AASP318
BHIS200
BASP318

site_idSWS_FT_FI5
Number of Residues4
DetailsBINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0007744|PDB:1PTW
ChainResidueDetails
AASP201
APHE372
BASP201
BPHE372

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PDB entries from 2024-10-30

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