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7CBQ

Crystal structure of PDE4D catalytic domain in complex with Apremilast

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 MG A 501
ChainResidue
AASP201
AHOH630
AHOH631
AHOH661
AHOH673
AHOH758

site_idAC2
Number of Residues6
Detailsbinding site for residue ZN A 502
ChainResidue
AASP318
AHOH630
AHOH652
AHIS164
AHIS200
AASP201

site_idAC3
Number of Residues3
Detailsbinding site for residue MG A 503
ChainResidue
AASP151
ATYR153
AHOH708

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 504
ChainResidue
ALYS262
AILE265
AASP266
AHOH634

site_idAC5
Number of Residues5
Detailsbinding site for residue EDO A 505
ChainResidue
ATHR186
ALEU188
AGLU189
ASER259
AMET263

site_idAC6
Number of Residues6
Detailsbinding site for residue EDO A 506
ChainResidue
AASN115
AALA155
AASN162
AILE163
AHOH711
AHOH724

site_idAC7
Number of Residues4
Detailsbinding site for residue EDO A 507
ChainResidue
AHIS154
AASP156
AVAL157
APRO205

site_idAC8
Number of Residues3
Detailsbinding site for residue EDO A 508
ChainResidue
ALYS275
AGLN311
AHOH607

site_idAC9
Number of Residues2
Detailsbinding site for residue EDO A 509
ChainResidue
AVAL174
ATHR178

site_idAD1
Number of Residues2
Detailsbinding site for residue EDO A 510
ChainResidue
AASN402
AHOH765

site_idAD2
Number of Residues11
Detailsbinding site for residue A9L A 511
ChainResidue
AHIS160
AMET273
AASP318
AASN321
AILE336
APHE340
ASER368
AGLN369
APHE372
AHOH602
AHOH758

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO B 501
ChainResidue
AASN224
BLYS262
BASP266
BHOH656

site_idAD4
Number of Residues6
Detailsbinding site for residue MG B 502
ChainResidue
BASP201
BHOH613
BHOH623
BHOH638
BHOH670
BHOH727

site_idAD5
Number of Residues6
Detailsbinding site for residue ZN B 503
ChainResidue
BHIS164
BHIS200
BASP201
BASP318
BHOH613
BHOH654

site_idAD6
Number of Residues4
Detailsbinding site for residue EDO B 504
ChainResidue
BALA155
BASP156
BVAL157
BGLU338

site_idAD7
Number of Residues5
Detailsbinding site for residue EDO B 505
ChainResidue
BLEU175
BTHR178
BTRP384
BASP391
BALA392

site_idAD8
Number of Residues2
Detailsbinding site for residue EDO B 506
ChainResidue
BMET222
BHOH637

site_idAD9
Number of Residues12
Detailsbinding site for residue A9L B 507
ChainResidue
BHIS160
BMET273
BASP318
BASN321
BILE336
BPHE340
BMET357
BGLN369
BPHE372
BHOH601
BHOH727
BHOH735

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 2024-11-06

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