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6RB6

Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-053

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
AHOH1123
AHOH1145
AHOH1190
AHOH1196
AHOH1277

site_idAC2
Number of Residues6
Detailsbinding site for residue ZN A 1002
ChainResidue
AASP822
AHOH1145
AHOH1241
AHIS673
AHIS709
AASP710

site_idAC3
Number of Residues4
Detailsbinding site for residue GAI A 1003
ChainResidue
AGLY638
ASER639
AHIS682
AHOH1243

site_idAC4
Number of Residues4
Detailsbinding site for residue GAI A 1004
ChainResidue
ALEU753
ASER754
AASP759
AASP762

site_idAC5
Number of Residues4
Detailsbinding site for residue GAI A 1005
ChainResidue
ALEU694
AHOH1157
AHOH1168
AHOH1234

site_idAC6
Number of Residues4
Detailsbinding site for residue GAI A 1006
ChainResidue
AALA799
AALA800
AASP801
AGLN802

site_idAC7
Number of Residues1
Detailsbinding site for residue GAI A 1007
ChainResidue
AVAL610

site_idAC8
Number of Residues2
Detailsbinding site for residue GAI A 1008
ChainResidue
AASP712
AMET714

site_idAC9
Number of Residues2
Detailsbinding site for residue GAI A 1009
ChainResidue
ASER639
AGLU696

site_idAD1
Number of Residues4
Detailsbinding site for residue EDO A 1010
ChainResidue
APHE605
AASP606
AASP609
AHOH1199

site_idAD2
Number of Residues6
Detailsbinding site for residue EDO A 1011
ChainResidue
AGLY688
AASN689
ALEU894
AGLN895
AGLY896
AHOH1235

site_idAD3
Number of Residues4
Detailsbinding site for residue EDO A 1012
ChainResidue
AGLU698
ALEU771
AHIS810
AHOH1155

site_idAD4
Number of Residues3
Detailsbinding site for residue FMT A 1013
ChainResidue
AARG903
AHOH1125
AHOH1177

site_idAD5
Number of Residues8
Detailsbinding site for residue JX2 A 1014
ChainResidue
AMET785
AASP822
AVAL840
AGLY873
AGLN874
AGLY876
APHE877
AHOH1178

site_idAD6
Number of Residues6
Detailsbinding site for residue GAI B 1001
ChainResidue
AGLU692
ALYS693
AHIS810
BPHE645
BGLY646
BGLY763

site_idAD7
Number of Residues2
Detailsbinding site for residue FMT B 1002
ChainResidue
ATHR770
BGLU725

site_idAD8
Number of Residues6
Detailsbinding site for residue MG B 1003
ChainResidue
BASP710
BHOH1118
BHOH1139
BHOH1203
BHOH1226
BHOH1245

site_idAD9
Number of Residues6
Detailsbinding site for residue ZN B 1004
ChainResidue
BHIS673
BHIS709
BASP710
BASP822
BHOH1118
BHOH1213

site_idAE1
Number of Residues1
Detailsbinding site for residue GAI B 1005
ChainResidue
BTRP899

site_idAE2
Number of Residues6
Detailsbinding site for residue GAI B 1006
ChainResidue
BASP712
BMET714
BTYR721
BLEU728
BLEU741
BHIS744

site_idAE3
Number of Residues6
Detailsbinding site for residue EDO B 1007
ChainResidue
BPHE605
BGLU611
BPHE612
BASP613
BARG616
BEDO1009

site_idAE4
Number of Residues5
Detailsbinding site for residue EDO B 1008
ChainResidue
BPHE615
BARG618
BPRO667
BASN670
BTYR672

site_idAE5
Number of Residues5
Detailsbinding site for residue EDO B 1009
ChainResidue
BASP609
BEDO1007
BSER604
BPHE605
BASP606

site_idAE6
Number of Residues7
Detailsbinding site for residue EDO B 1010
ChainResidue
BSER719
BLYS723
BGLN847
BGLU851
BVAL858
BLEU859
BPHE862

site_idAE7
Number of Residues5
Detailsbinding site for residue EDO B 1011
ChainResidue
BGLY688
BASN689
BLEU894
BGLN895
BGLY896

site_idAE8
Number of Residues8
Detailsbinding site for residue JX2 B 1012
ChainResidue
BMET785
BTYR845
BMET861
BASN867
BLYS872
BGLY873
BGLN874
BPHE877

site_idAE9
Number of Residues5
Detailsbinding site for residue GAI B 1013
ChainResidue
ALYS644
ATHR695
ALEU697
AHOH1174
BASP649

site_idAF1
Number of Residues2
Detailsbinding site for residue GAI B 1014
ChainResidue
BMET812
BGLU815

site_idAF2
Number of Residues2
Detailsbinding site for residue EDO B 1015
ChainResidue
BGLN895
BHOH1210

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

221716

PDB entries from 2024-06-26

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