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5G2B

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-008

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
AHOH2045
AHOH2071

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG A 1002
ChainResidue
AHOH2071
AHOH2072
AHOH2091
AASP710
AHOH2046
AHOH2070

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE LQY A 1003
ChainResidue
AMET785
AASP822
APHE844
ATYR845
AMET861
AASN867
AGLY873
AGLN874
AHOH2106
AHOH2131
AHOH2144
AHOH2162

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE FMT A 1004
ChainResidue
APHE645
AGLU768
AGAI1008

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE FMT A 1005
ChainResidue
AGLU765
AALA767
AGLU768

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE FMT A 1006
ChainResidue
APHE605
AASP606
AARG616

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GAI A 1007
ChainResidue
ALEU753
ASER754
AASP759
AASP762
AARG769
ALEU915
AHOH2097

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GAI A 1008
ChainResidue
AGLU696
AFMT1004
BTYR686
BTYR691

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 1001
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH2059
BHOH2079

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MG B 1002
ChainResidue
BASP710
BHOH2060
BHOH2078
BHOH2079
BHOH2080
BHOH2097

site_idBC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE GAI B 1004
ChainResidue
BTRP899

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE GOL B 1005
ChainResidue
ATYR691
ALEU694
AGLU696
AHOH2054
BTYR691
BLEU694
BHOH2066
BHOH2069

site_idBC4
Number of Residues18
DetailsBINDING SITE FOR RESIDUE LQY B 1003
ChainResidue
BMET785
BASP822
BILE823
BVAL840
BTHR841
BPHE844
BTYR845
BMET861
BMET868
BGLU869
BLEU870
BGLY873
BGLN874
BHOH2117
BHOH2148
BHOH2149
BHOH2169
BHOH2170

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 2024-06-12

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