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6FDX

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086

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
AHOH1109
AHOH1162

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 1002
ChainResidue
AHOH1110
AHOH1146
AHOH1148
AASP710
AHOH1101
AHOH1109

site_idAC3
Number of Residues10
Detailsbinding site for residue D5Z A 1003
ChainResidue
AMET785
AASP822
AASN825
AALA837
AVAL840
AMET861
AGLN874
APHE877
AVAL881
AHOH1112

site_idAC4
Number of Residues4
Detailsbinding site for residue FMT A 1004
ChainResidue
APHE605
AASP606
AASP613
AARG616

site_idAC5
Number of Residues1
Detailsbinding site for residue FMT A 1005
ChainResidue
AGLU768

site_idAC6
Number of Residues3
Detailsbinding site for residue FMT A 1006
ChainResidue
ATYR691
ALEU694
BTYR691

site_idAC7
Number of Residues6
Detailsbinding site for residue GAI A 1007
ChainResidue
ALEU753
ASER754
AASP759
AASP762
ALEU915
AHOH1142

site_idAC8
Number of Residues2
Detailsbinding site for residue GAI A 1008
ChainResidue
ASER798
AASP801

site_idAC9
Number of Residues6
Detailsbinding site for residue ZN B 1001
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1106
BHOH1146

site_idAD1
Number of Residues6
Detailsbinding site for residue MG B 1002
ChainResidue
BASP710
BHOH1106
BHOH1110
BHOH1123
BHOH1132
BHOH1156

site_idAD2
Number of Residues1
Detailsbinding site for residue GAI B 1003
ChainResidue
BVAL610

site_idAD3
Number of Residues9
Detailsbinding site for residue D5Z B 1004
ChainResidue
BMET785
BASN825
BALA837
BMET861
BGLY873
BGLN874
BPHE877
BPHE880
BVAL881

site_idAD4
Number of Residues3
Detailsbinding site for residue FMT B 1005
ChainResidue
BASP762
BLEU764
BARG769

site_idAD5
Number of Residues3
Detailsbinding site for residue FMT B 1006
ChainResidue
BPHE605
BASP613
BARG616

site_idAD6
Number of Residues5
Detailsbinding site for residue GAI B 1007
ChainResidue
ALEU697
AGLU768
BASN689
BTYR691
BGLU692

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 2024-07-17

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