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6FTM

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048

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 MG A 1001
ChainResidue
AASP710
AHOH1114
AHOH1120
AHOH1167
AHOH1169
AHOH1230

site_idAC2
Number of Residues6
Detailsbinding site for residue ZN A 1002
ChainResidue
AASP822
AHOH1120
AHOH1208
AHIS673
AHIS709
AASP710

site_idAC3
Number of Residues6
Detailsbinding site for residue EDO A 1003
ChainResidue
AGLY688
AASN689
AGLU692
ALEU894
AGLN895
AGLY896

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 1004
ChainResidue
AALA909
AARG913
AGLU916
AHOH1204

site_idAC5
Number of Residues6
Detailsbinding site for residue EDO A 1005
ChainResidue
ALYS723
AGLN847
AGLU851
AVAL858
ALEU859
APHE862

site_idAC6
Number of Residues5
Detailsbinding site for residue EDO A 1006
ChainResidue
APHE615
AARG618
APRO667
AASN670
ATRP836

site_idAC7
Number of Residues3
Detailsbinding site for residue EDO A 1007
ChainResidue
ALYS623
APRO624
ALEU625

site_idAC8
Number of Residues4
Detailsbinding site for residue EDO A 1008
ChainResidue
ALYS591
AARG594
AGLU650
AEDO1013

site_idAC9
Number of Residues3
Detailsbinding site for residue EDO A 1009
ChainResidue
AGLN643
AASP649
BLEU697

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 1010
ChainResidue
AARG664
AASN665
BALA909
BARG913

site_idAD2
Number of Residues7
Detailsbinding site for residue EDO A 1011
ChainResidue
AASN665
AVAL666
APRO667
AHOH1177
BARG903
BSER906
BEDO1004

site_idAD3
Number of Residues5
Detailsbinding site for residue EDO A 1012
ChainResidue
ASER775
AASP778
AARG811
AHOH1180
AHOH1226

site_idAD4
Number of Residues4
Detailsbinding site for residue EDO A 1013
ChainResidue
ATYR633
AASP649
AEDO1008
BLYS644

site_idAD5
Number of Residues1
Detailsbinding site for residue EDO A 1014
ChainResidue
ATRP899

site_idAD6
Number of Residues5
Detailsbinding site for residue GAI A 1015
ChainResidue
AASP712
AMET714
ALEU728
ALEU741
AHIS744

site_idAD7
Number of Residues3
Detailsbinding site for residue GAI A 1016
ChainResidue
AASP606
AASP609
AHOH1141

site_idAD8
Number of Residues4
Detailsbinding site for residue GAI A 1017
ChainResidue
AGLY638
ASER639
AHIS682
AHOH1225

site_idAD9
Number of Residues8
Detailsbinding site for residue GAI A 1018
ChainResidue
APHE645
AGLY646
AGLY763
AHOH1189
BLYS693
BPHE809
BHIS810
BEDO1005

site_idAE1
Number of Residues5
Detailsbinding site for residue GAI A 1019
ChainResidue
ATHR695
AGLU696
AHOH1112
AHOH1135
BSER804

site_idAE2
Number of Residues3
Detailsbinding site for residue GAI A 1020
ChainResidue
AMET812
AGLU815
AGAI1021

site_idAE3
Number of Residues3
Detailsbinding site for residue GAI A 1021
ChainResidue
AASP778
AGLU815
AGAI1020

site_idAE4
Number of Residues4
Detailsbinding site for residue GAI A 1022
ChainResidue
ATYR845
AMET861
AASN867
AE6Z1026

site_idAE5
Number of Residues6
Detailsbinding site for residue FMT A 1023
ChainResidue
ALEU753
ASER754
APRO756
AASP759
AASP762
AHOH1147

site_idAE6
Number of Residues4
Detailsbinding site for residue FMT A 1024
ChainResidue
ASER639
ALEU641
ALYS644
AHOH1126

site_idAE7
Number of Residues4
Detailsbinding site for residue FMT A 1025
ChainResidue
AGLU692
ALYS693
ALEU694
AHIS810

site_idAE8
Number of Residues8
Detailsbinding site for residue E6Z A 1026
ChainResidue
AMET785
AVAL840
APHE844
AMET861
AGLY873
AGLN874
APHE877
AGAI1022

site_idAE9
Number of Residues3
Detailsbinding site for residue FMT A 1027
ChainResidue
AARG769
ATHR770
BGLU725

site_idAF1
Number of Residues6
Detailsbinding site for residue MG B 1001
ChainResidue
BASP710
BHOH1125
BHOH1135
BHOH1158
BHOH1159
BHOH1239

site_idAF2
Number of Residues6
Detailsbinding site for residue ZN B 1002
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1135
BHOH1203

site_idAF3
Number of Residues6
Detailsbinding site for residue EDO B 1003
ChainResidue
BPHE605
BASP606
BASP609
BGLU611
BPHE612
BHOH1213

site_idAF4
Number of Residues4
Detailsbinding site for residue EDO B 1004
ChainResidue
AEDO1011
BTRP899
BARG903
BSER906

site_idAF5
Number of Residues6
Detailsbinding site for residue EDO B 1005
ChainResidue
ALEU764
AGLU765
AGLU768
AGAI1018
BGLN802
BGLU806

site_idAF6
Number of Residues4
Detailsbinding site for residue EDO B 1006
ChainResidue
BGLU698
BLEU771
BHIS810
BHOH1123

site_idAF7
Number of Residues5
Detailsbinding site for residue EDO B 1007
ChainResidue
BGLY688
BASN689
BLEU894
BGLN895
BGLY896

site_idAF8
Number of Residues1
Detailsbinding site for residue EDO B 1008
ChainResidue
BGLU815

site_idAF9
Number of Residues3
Detailsbinding site for residue EDO B 1009
ChainResidue
BLEU722
BGLY729
BSER733

site_idAG1
Number of Residues4
Detailsbinding site for residue GAI B 1010
ChainResidue
AHOH1183
BLEU694
BHOH1151
BHOH1192

site_idAG2
Number of Residues7
Detailsbinding site for residue GAI B 1011
ChainResidue
BLEU753
BSER754
BASP759
BASP762
BLEU915
BARG918
BHOH1134

site_idAG3
Number of Residues4
Detailsbinding site for residue FMT B 1012
ChainResidue
BARG618
BPRO667
BASN670
BTRP836

site_idAG4
Number of Residues9
Detailsbinding site for residue E6Z B 1013
ChainResidue
BMET785
BASP822
BVAL840
BMET861
BMET868
BGLY873
BGLN874
BHOH1147
BHOH1242

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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