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6QGP

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769

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
AHOH1104
AHOH1196

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 1002
ChainResidue
AHOH1167
AHOH1195
AHOH1233
AASP710
AHOH1104
AHOH1110

site_idAC3
Number of Residues2
Detailsbinding site for residue FMT A 1003
ChainResidue
AGLU768
AGAI1007

site_idAC4
Number of Residues5
Detailsbinding site for residue FMT A 1004
ChainResidue
AGLU765
AALA767
AGLU768
AHOH1225
AHOH1262

site_idAC5
Number of Residues3
Detailsbinding site for residue FMT A 1005
ChainResidue
APHE605
AASP606
AARG616

site_idAC6
Number of Residues7
Detailsbinding site for residue GAI A 1006
ChainResidue
ALEU753
ASER754
AASP759
AASP762
AARG769
ALEU915
AHOH1118

site_idAC7
Number of Residues5
Detailsbinding site for residue GAI A 1007
ChainResidue
AGLU696
AFMT1003
AHOH1182
BTYR686
BTYR691

site_idAC8
Number of Residues4
Detailsbinding site for residue GOL A 1008
ChainResidue
AVAL597
ALEU598
ACYS600
AARG634

site_idAC9
Number of Residues4
Detailsbinding site for residue GOL A 1009
ChainResidue
AVAL610
AARG687
ATRP899
AHOH1106

site_idAD1
Number of Residues4
Detailsbinding site for residue GOL A 1010
ChainResidue
ALEU625
AARG660
ATYR663
AHOH1231

site_idAD2
Number of Residues6
Detailsbinding site for residue ZN B 1001
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1147
BHOH1227

site_idAD3
Number of Residues6
Detailsbinding site for residue MG B 1002
ChainResidue
BASP710
BHOH1147
BHOH1160
BHOH1168
BHOH1200
BHOH1214

site_idAD4
Number of Residues1
Detailsbinding site for residue GAI B 1003
ChainResidue
BVAL610

site_idAD5
Number of Residues9
Detailsbinding site for residue GOL B 1004
ChainResidue
ATYR691
ALEU694
AHOH1240
BTYR691
BLEU694
BGLU696
BHOH1114
BHOH1222
BHOH1234

site_idAD6
Number of Residues8
Detailsbinding site for residue GOL B 1005
ChainResidue
ATYR686
AASN689
ATYR691
AHOH1219
BLYS644
BGLU696
BPEG1008
BHOH1102

site_idAD7
Number of Residues7
Detailsbinding site for residue GOL B 1006
ChainResidue
BGLY688
BASN689
BGLU692
BLYS693
BLEU894
BGLN895
BGLY896

site_idAD8
Number of Residues5
Detailsbinding site for residue GOL B 1007
ChainResidue
BLEU625
BARG660
BTYR663
BPHE671
BHOH1224

site_idAD9
Number of Residues8
Detailsbinding site for residue PEG B 1008
ChainResidue
ATYR691
AHOH1146
BTHR695
BGLU696
BLEU697
BGLU768
BLEU771
BGOL1005

site_idAE1
Number of Residues7
Detailsbinding site for residue J2E B 1009
ChainResidue
BGLN874
BPHE880
BHOH1150
BHOH1205
BMET785
BASN825
BGLY873

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 2024-07-24

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