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6FV9

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-007

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
AHOH1117
AHOH1136
AHOH1144
AHOH1175
AHOH1206

site_idAC2
Number of Residues6
Detailsbinding site for residue ZN A 1002
ChainResidue
AASP822
AHOH1117
AHOH1159
AHIS673
AHIS709
AASP710

site_idAC3
Number of Residues3
Detailsbinding site for residue GOL A 1003
ChainResidue
AARG687
AHOH1143
AHOH1154

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL A 1004
ChainResidue
AASP613
APRO829
APHE830
AASP831
AILE832
BASP849
BARG864

site_idAC5
Number of Residues4
Detailsbinding site for residue GOL A 1005
ChainResidue
AVAL597
ALEU598
ACYS600
AARG634

site_idAC6
Number of Residues10
Detailsbinding site for residue E8H A 1006
ChainResidue
AMET785
AASP822
AASN825
AALA837
AVAL840
AMET861
AGLN874
APHE877
AVAL881
AHOH1115

site_idAC7
Number of Residues6
Detailsbinding site for residue MG B 1001
ChainResidue
BASP710
BHOH1137
BHOH1164
BHOH1166
BHOH1194
BHOH1196

site_idAC8
Number of Residues6
Detailsbinding site for residue ZN B 1002
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1121
BHOH1164

site_idAC9
Number of Residues6
Detailsbinding site for residue GOL B 1003
ChainResidue
BGLY688
BASN689
BGLU692
BLEU894
BGLN895
BGLY896

site_idAD1
Number of Residues9
Detailsbinding site for residue E8H B 1004
ChainResidue
BMET785
BILE823
BASN825
BALA837
BMET861
BGLY873
BGLN874
BHOH1118
BHOH1201

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

217705

PDB entries from 2024-03-27

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