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6RFW

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1039

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
AHOH1113
AHOH1128

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 1002
ChainResidue
AHOH1181
AHOH1193
AHOH1201
AASP710
AHOH1113
AHOH1120

site_idAC3
Number of Residues4
Detailsbinding site for residue FMT A 1003
ChainResidue
AGLU765
AALA767
AGLU768
AHOH1168

site_idAC4
Number of Residues1
Detailsbinding site for residue GAI A 1004
ChainResidue
AVAL610

site_idAC5
Number of Residues9
Detailsbinding site for residue GOL A 1005
ChainResidue
AGLY688
AASN689
AGLU692
ALYS693
ALEU894
AGLN895
AGLY896
AHOH1135
AHOH1170

site_idAC6
Number of Residues5
Detailsbinding site for residue GAI A 1006
ChainResidue
ALEU753
ASER754
AASP759
AASP762
ALEU915

site_idAC7
Number of Residues6
Detailsbinding site for residue K1Q A 1007
ChainResidue
AMET785
AASP822
AASN825
AMET861
AGLY873
AGLN874

site_idAC8
Number of Residues4
Detailsbinding site for residue GAI B 1001
ChainResidue
AGLU696
BTYR686
BASN689
BTYR691

site_idAC9
Number of Residues6
Detailsbinding site for residue ZN B 1002
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1119
BHOH1122

site_idAD1
Number of Residues6
Detailsbinding site for residue MG B 1003
ChainResidue
BASP710
BHOH1102
BHOH1122
BHOH1130
BHOH1154
BHOH1200

site_idAD2
Number of Residues1
Detailsbinding site for residue GAI B 1004
ChainResidue
BVAL610

site_idAD3
Number of Residues7
Detailsbinding site for residue GOL B 1005
ChainResidue
ATYR691
ALEU694
BTYR691
BLEU694
BHOH1162
BHOH1172
BHOH1173

site_idAD4
Number of Residues7
Detailsbinding site for residue GOL B 1006
ChainResidue
BGLY688
BASN689
BGLU692
BLYS693
BLEU894
BGLY896
BHOH1156

site_idAD5
Number of Residues11
Detailsbinding site for residue K1Q B 1007
ChainResidue
BMET785
BASP822
BILE823
BASN825
BVAL840
BMET861
BGLY873
BGLN874
BPHE877
BPHE880
BHOH1194

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 2024-08-07

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