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6RGK

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055

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
AHOH1138
AHOH1147

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 1002
ChainResidue
AHOH1180
AHOH1216
AHOH1222
AASP710
AHOH1141
AHOH1147

site_idAC3
Number of Residues5
Detailsbinding site for residue FMT A 1003
ChainResidue
AGLU765
AALA767
AGLU768
AHOH1146
AHOH1164

site_idAC4
Number of Residues6
Detailsbinding site for residue GOL A 1004
ChainResidue
AGLY688
AASN689
ALYS693
ALEU894
AGLN895
AGLY896

site_idAC5
Number of Residues8
Detailsbinding site for residue GAI A 1005
ChainResidue
ALEU753
ASER754
AASP759
AASP762
AARG769
ALEU915
AHOH1142
AHOH1154

site_idAC6
Number of Residues4
Detailsbinding site for residue GAI A 1006
ChainResidue
AGLU696
BTYR686
BTYR691
BHOH1206

site_idAC7
Number of Residues1
Detailsbinding site for residue GAI A 1007
ChainResidue
AHOH1194

site_idAC8
Number of Residues9
Detailsbinding site for residue K3N A 1008
ChainResidue
AMET785
AASP822
AASN825
AVAL840
AGLY873
AGLN874
AHOH1105
AHOH1106
AHOH1187

site_idAC9
Number of Residues6
Detailsbinding site for residue ZN B 1001
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1104
BHOH1193

site_idAD1
Number of Residues6
Detailsbinding site for residue MG B 1002
ChainResidue
BASP710
BHOH1104
BHOH1127
BHOH1148
BHOH1173
BHOH1207

site_idAD2
Number of Residues6
Detailsbinding site for residue GOL B 1003
ChainResidue
ATYR691
ALEU694
BTYR691
BLEU694
BHOH1114
BHOH1177

site_idAD3
Number of Residues7
Detailsbinding site for residue GOL B 1004
ChainResidue
BGLY688
BASN689
BGLU692
BLYS693
BLEU894
BGLN895
BGLY896

site_idAD4
Number of Residues1
Detailsbinding site for residue GAI B 1005
ChainResidue
BTRP899

site_idAD5
Number of Residues3
Detailsbinding site for residue GAI B 1006
ChainResidue
ATYR686
ATYR691
BGLU696

site_idAD6
Number of Residues10
Detailsbinding site for residue K3N B 1007
ChainResidue
BMET785
BILE823
BASN825
BVAL840
BMET861
BMET868
BGLY873
BGLN874
BPHE877
BHOH1202

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 2024-05-29

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