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6IMB

Crystal structure of PDE4D complexed with a novel inhibitor

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 501
ChainResidue
AHIS164
AHIS200
AASP201
AASP318
AHOH611
AHOH725

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 502
ChainResidue
AHOH669
AHOH686
AHOH753
AASP201
AHOH611
AHOH661

site_idAC3
Number of Residues7
Detailsbinding site for residue AH9 A 503
ChainResidue
AHIS160
AILE336
AMET357
AGLN369
APHE372
AHOH649
AHOH706

site_idAC4
Number of Residues5
Detailsbinding site for residue EDO A 504
ChainResidue
APHE238
APHE249
AARG257
AARG261
AHOH745

site_idAC5
Number of Residues4
Detailsbinding site for residue EDO A 505
ChainResidue
ALYS262
AILE265
AASP266
BHOH654

site_idAC6
Number of Residues5
Detailsbinding site for residue EDO A 506
ChainResidue
ATHR134
APHE135
ALYS136
AASN251
AGLN256

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 507
ChainResidue
ATHR186
ASER259
AHOH709

site_idAC8
Number of Residues5
Detailsbinding site for residue EDO A 508
ChainResidue
AASP266
ALEU269
ALYS275
AGLN311
AHOH608

site_idAC9
Number of Residues4
Detailsbinding site for residue EDO A 509
ChainResidue
AASP401
AASN402
BTRP405
BHOH714

site_idAD1
Number of Residues3
Detailsbinding site for residue EDO A 510
ChainResidue
ASER208
APRO356
ACYS358

site_idAD2
Number of Residues4
Detailsbinding site for residue EDO A 511
ChainResidue
AARG330
AGLU366
ATYR406
AHOH697

site_idAD3
Number of Residues7
Detailsbinding site for residue EDO A 512
ChainResidue
AASP156
AVAL157
AALA158
AGLU339
AARG342
AHOH601
AHOH627

site_idAD4
Number of Residues6
Detailsbinding site for residue ZN B 501
ChainResidue
BHIS164
BHIS200
BASP201
BASP318
BHOH625
BHOH696

site_idAD5
Number of Residues6
Detailsbinding site for residue MG B 502
ChainResidue
AASP151
ATYR153
BASP301
BHOH611
BHOH634
BHOH700

site_idAD6
Number of Residues6
Detailsbinding site for residue MG B 503
ChainResidue
BASP201
BHOH625
BHOH640
BHOH661
BHOH685
BHOH738

site_idAD7
Number of Residues6
Detailsbinding site for residue MG B 504
ChainResidue
AHOH628
AHOH662
AHOH829
BHOH603
BHOH720
BHOH728

site_idAD8
Number of Residues9
Detailsbinding site for residue AH9 B 505
ChainResidue
BHIS160
BILE336
BMET357
BGLN369
BPHE372
BHOH669
BHOH695
BHOH721
BHOH789

site_idAD9
Number of Residues4
Detailsbinding site for residue EDO B 506
ChainResidue
BSER208
BPHE340
BSER355
BPRO356

site_idAE1
Number of Residues7
Detailsbinding site for residue EDO B 507
ChainResidue
BTYR153
BASN162
BHOH617
BHOH637
AGLN407
BGLU150
BASP151

site_idAE2
Number of Residues5
Detailsbinding site for residue EDO B 508
ChainResidue
AASN224
BLYS262
BILE265
BASP266
BHOH619

site_idAE3
Number of Residues6
Detailsbinding site for residue EDO B 509
ChainResidue
BASN209
BGLN210
BHOH607
BHOH612
BHOH653
BHOH688

site_idAE4
Number of Residues4
Detailsbinding site for residue EDO B 510
ChainResidue
BARG330
BGLU366
BTRP405
BHOH662

site_idAE5
Number of Residues3
Detailsbinding site for residue EDO B 511
ChainResidue
AGLN327
AHOH647
BTRP405

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 2024-07-17

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