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5L8C

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-039

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
AHIS673
AHIS709
AASP710
AASP822
AHOH1126
AHOH1166

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 1002
ChainResidue
AHOH1170
AHOH1199
AHOH1203
AASP710
AHOH1115
AHOH1126

site_idAC3
Number of Residues1
Detailsbinding site for residue FMT A 1003
ChainResidue
AGLU768

site_idAC4
Number of Residues4
Detailsbinding site for residue FMT A 1004
ChainResidue
AGLU765
AALA767
AGLU768
AHOH1194

site_idAC5
Number of Residues2
Detailsbinding site for residue FMT A 1005
ChainResidue
APHE605
AASP606

site_idAC6
Number of Residues9
Detailsbinding site for residue GAI A 1006
ChainResidue
ALEU753
ASER754
APRO756
AASP759
AASP762
AARG769
ALEU915
AARG918
AHOH1111

site_idAC7
Number of Residues9
Detailsbinding site for residue 908 A 1007
ChainResidue
AMET785
AASP822
ATYR845
AASN867
AGLU869
AGLY873
AGLN874
APHE877
AHOH1142

site_idAC8
Number of Residues8
Detailsbinding site for residue GOL A 1008
ChainResidue
AGLY688
AASN689
AGLU692
ALYS693
ALEU894
AGLN895
AGLY896
AHOH1110

site_idAC9
Number of Residues6
Detailsbinding site for residue ZN B 1001
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1133
BHOH1186

site_idAD1
Number of Residues6
Detailsbinding site for residue MG B 1002
ChainResidue
BASP710
BHOH1128
BHOH1133
BHOH1184
BHOH1191
BHOH1216

site_idAD2
Number of Residues7
Detailsbinding site for residue GOL B 1003
ChainResidue
ATYR691
ALEU694
AGLU696
BTYR691
BLEU694
BHOH1142
BHOH1169

site_idAD3
Number of Residues7
Detailsbinding site for residue GOL B 1004
ChainResidue
BGLY688
BASN689
BGLU692
BLYS693
BLEU894
BGLN895
BGLY896

site_idAD4
Number of Residues8
Detailsbinding site for residue PEG B 1005
ChainResidue
AASN747
AHOH1158
BLEU728
BSER732
BVAL740
BVAL743
BHIS744
BASN747

site_idAD5
Number of Residues9
Detailsbinding site for residue PEG B 1006
ChainResidue
ATYR691
AHOH1131
BPHE645
BTHR695
BGLU696
BLEU697
BGLU768
BHOH1131
BHOH1185

site_idAD6
Number of Residues11
Detailsbinding site for residue 908 B 1007
ChainResidue
BMET785
BASP822
BVAL840
BTHR841
BTYR845
BMET861
BGLU869
BGLY873
BGLN874
BHOH1223
BHOH1241

site_idAD7
Number of Residues4
Detailsbinding site for residue FMT B 1008
ChainResidue
BSER604
BPHE605
BASP606
BHOH1152

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

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PDB entries from 2024-07-10

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