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6GXQ

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335

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 1001
ChainResidue
AASP710
AHOH1127
AHOH1134
AHOH1203
AHOH1227
AHOH1259

site_idAC2
Number of Residues6
Detailsbinding site for residue ZN A 1002
ChainResidue
AASP822
AHOH1127
AHOH1175
AHIS673
AHIS709
AASP710

site_idAC3
Number of Residues2
Detailsbinding site for residue GAI A 1003
ChainResidue
ALYS644
AGLU768

site_idAC4
Number of Residues8
Detailsbinding site for residue GAI A 1004
ChainResidue
ALEU753
ASER754
AASP759
AASP762
AARG769
ALEU915
AHOH1111
AHOH1139

site_idAC5
Number of Residues8
Detailsbinding site for residue FFZ A 1005
ChainResidue
AMET785
AASP822
AASN825
AGLY873
AGLN874
APHE877
AHOH1170
AHOH1198

site_idAC6
Number of Residues1
Detailsbinding site for residue GAI A 1006
ChainResidue
AGLU692

site_idAC7
Number of Residues7
Detailsbinding site for residue GOL A 1007
ChainResidue
AASP613
APRO829
APHE830
AASP831
AILE832
BASP849
BARG864

site_idAC8
Number of Residues2
Detailsbinding site for residue GAI B 1001
ChainResidue
BTYR686
BTYR691

site_idAC9
Number of Residues6
Detailsbinding site for residue MG B 1002
ChainResidue
BASP710
BHOH1112
BHOH1154
BHOH1170
BHOH1185
BHOH1242

site_idAD1
Number of Residues6
Detailsbinding site for residue ZN B 1003
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1185
BHOH1199

site_idAD2
Number of Residues5
Detailsbinding site for residue GOL B 1004
ChainResidue
BGLY688
BASN689
BLYS693
BLEU894
BGLY896

site_idAD3
Number of Residues4
Detailsbinding site for residue GOL B 1006
ChainResidue
BTYR691
BLEU694
BTHR695
BHOH1122

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 2024-11-06

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