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6RFN

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018

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
AHOH1117
AHOH1193

site_idAC2
Number of Residues6
Detailsbinding site for residue MG A 1002
ChainResidue
AHOH1200
AHOH1213
AHOH1224
AASP710
AHOH1117
AHOH1144

site_idAC3
Number of Residues3
Detailsbinding site for residue FMT A 1003
ChainResidue
APHE645
AGLU768
AGAI1007

site_idAC4
Number of Residues4
Detailsbinding site for residue FMT A 1004
ChainResidue
AGLU765
AALA767
AGLU768
AHOH1127

site_idAC5
Number of Residues9
Detailsbinding site for residue GAI A 1005
ChainResidue
ALEU753
ASER754
APRO756
AASP759
AASP762
AARG769
ALEU915
AHOH1141
AHOH1167

site_idAC6
Number of Residues4
Detailsbinding site for residue GAI A 1007
ChainResidue
AGLU696
AFMT1003
BTYR686
BTYR691

site_idAC7
Number of Residues7
Detailsbinding site for residue GOL A 1008
ChainResidue
AGLY688
AASN689
AGLU692
ALYS693
ALEU894
AGLY896
AHOH1219

site_idAC8
Number of Residues8
Detailsbinding site for residue K3W A 1009
ChainResidue
AMET785
AASP822
AASN825
AMET861
AGLY873
AGLN874
APHE877
AHOH1133

site_idAC9
Number of Residues6
Detailsbinding site for residue ZN B 1001
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1128
BHOH1172

site_idAD1
Number of Residues6
Detailsbinding site for residue MG B 1002
ChainResidue
BASP710
BHOH1125
BHOH1128
BHOH1139
BHOH1150
BHOH1231

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

site_idAD3
Number of Residues6
Detailsbinding site for residue GOL B 1004
ChainResidue
ATYR691
ALEU694
BTYR691
BLEU694
BHOH1154
BHOH1201

site_idAD4
Number of Residues8
Detailsbinding site for residue GOL B 1005
ChainResidue
BGLY688
BGLU692
BLYS693
BCYS893
BLEU894
BGLN895
BGLY896
BHOH1198

site_idAD5
Number of Residues9
Detailsbinding site for residue K3W B 1006
ChainResidue
BMET785
BASP822
BILE823
BPHE844
BMET861
BGLY873
BGLN874
BPHE880
BHOH1142

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

224201

PDB entries from 2024-08-28

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