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6FE3

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1439

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 Residues8
Detailsbinding site for residue GAI A 1001
ChainResidue
ALEU753
ASER754
AASP759
AASP762
AARG769
ALEU915
AHOH1157
AHOH1187

site_idAC2
Number of Residues3
Detailsbinding site for residue GAI A 1002
ChainResidue
AHOH1133
BASN665
AARG913

site_idAC3
Number of Residues19
Detailsbinding site for residue D68 A 1003
ChainResidue
AMET785
AASP822
AASN825
AVAL826
ATRP836
AALA837
AVAL840
APHE844
AMET861
AGLY873
AGLN874
AGLY876
APHE877
APHE880
AVAL881
AHOH1140
AHOH1148
AHOH1216
AHOH1261

site_idAC4
Number of Residues6
Detailsbinding site for residue ZN A 1004
ChainResidue
AHIS673
AHIS709
AASP710
AASP822
AHOH1119
AHOH1224

site_idAC5
Number of Residues6
Detailsbinding site for residue MG A 1005
ChainResidue
AASP710
AHOH1119
AHOH1170
AHOH1197
AHOH1223
AHOH1281

site_idAC6
Number of Residues6
Detailsbinding site for residue FMT A 1006
ChainResidue
AGLY646
ASER648
AVAL651
AFMT1007
AHOH1107
AHOH1144

site_idAC7
Number of Residues4
Detailsbinding site for residue FMT A 1007
ChainResidue
AGLY646
AASP762
AGLY763
AFMT1006

site_idAC8
Number of Residues2
Detailsbinding site for residue FMT A 1008
ChainResidue
AASN689
AGLY896

site_idAC9
Number of Residues4
Detailsbinding site for residue FMT A 1009
ChainResidue
AHOH1110
AHOH1110
AHOH1112
AHOH1112

site_idAD1
Number of Residues4
Detailsbinding site for residue GAI A 1010
ChainResidue
AARG811
AGLU815
AHOH1117
AHOH1288

site_idAD2
Number of Residues3
Detailsbinding site for residue GAI A 1011
ChainResidue
ALYS644
AGLU768
BGOL1003

site_idAD3
Number of Residues4
Detailsbinding site for residue GAI A 1012
ChainResidue
AGLU692
AHOH1290
BHIS810
BHOH1171

site_idAD4
Number of Residues9
Detailsbinding site for residue GOL B 1001
ChainResidue
ATYR691
ALEU694
ATHR695
AHOH1120
AHOH1296
BTYR691
BLEU694
BHOH1153
BHOH1221

site_idAD5
Number of Residues7
Detailsbinding site for residue GOL B 1002
ChainResidue
BGLY688
BASN689
BGLU692
BCYS893
BLEU894
BGLN895
BGLY896

site_idAD6
Number of Residues7
Detailsbinding site for residue GOL B 1003
ChainResidue
ALYS644
AGLU696
AGAI1011
BTYR686
BTYR691
BHOH1175
BHOH1188

site_idAD7
Number of Residues6
Detailsbinding site for residue ZN B 1004
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1121
BHOH1206

site_idAD8
Number of Residues6
Detailsbinding site for residue MG B 1005
ChainResidue
BHOH1109
BHOH1121
BHOH1160
BHOH1202
BHOH1267
BASP710

site_idAD9
Number of Residues3
Detailsbinding site for residue GAI B 1006
ChainResidue
BASP762
BLEU764
BARG769

site_idAE1
Number of Residues1
Detailsbinding site for residue GAI B 1007
ChainResidue
BHOH1235

site_idAE2
Number of Residues7
Detailsbinding site for residue GOL B 1008
ChainResidue
ATYR686
ATYR691
AHOH1229
BLYS644
BGLU696
BHOH1225
BHOH1239

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHmGlnNsF
ChainResidueDetails
AHIS709-PHE720

218853

PDB entries from 2024-04-24

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