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4P0N

Crystal structure of PDE10a with a novel Imidazo[4,5-b]pyridine inhibitor

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 Residues13
Detailsbinding site for residue 1IS A 801
ChainResidue
AILE682
AHOH977
AHOH1083
AHOH1117
AHOH1157
ATYR683
APRO702
AMET703
AVAL712
AGLY715
AGLN716
APHE719
A1IR802

site_idAC2
Number of Residues11
Detailsbinding site for residue 1IR A 802
ChainResidue
AILE682
ATYR683
APRO702
AMET703
AVAL712
AGLY715
AGLN716
APHE719
A1IS801
AHOH977
AHOH1117

site_idAC3
Number of Residues7
Detailsbinding site for residue ZN A 803
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AZN804
AHOH1119
AHOH1121

site_idAC4
Number of Residues7
Detailsbinding site for residue ZN A 804
ChainResidue
AASP554
AZN803
AHOH958
AHOH987
AHOH1016
AHOH1120
AHOH1121

site_idAC5
Number of Residues8
Detailsbinding site for residue SO4 A 805
ChainResidue
ALYS497
AGLY597
AHIS598
AASN599
ASER602
AHOH981
AHOH1040
AHOH1059

site_idAC6
Number of Residues8
Detailsbinding site for residue SO4 A 806
ChainResidue
APHE472
AGLU473
AASN474
AARG510
AARG558
AHIS570
AHOH908
AHOH921

site_idAC7
Number of Residues9
Detailsbinding site for residue GOL A 807
ChainResidue
AARG457
AGLU461
AHIS466
APHE467
AASP468
ALEU671
ALYS695
AHOH905
AHOH912

site_idAC8
Number of Residues11
Detailsbinding site for residue 1IR B 801
ChainResidue
BILE682
BTYR683
BPRO702
BMET703
BVAL712
BGLY715
BGLN716
BPHE719
B1IS802
BHOH1015
BHOH1051

site_idAC9
Number of Residues11
Detailsbinding site for residue 1IS B 802
ChainResidue
BILE682
BTYR683
BPRO702
BMET703
BVAL712
BGLY715
BGLN716
BPHE719
B1IR801
BHOH1036
BHOH1051

site_idAD1
Number of Residues7
Detailsbinding site for residue ZN B 803
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BZN804
BHOH948
BHOH1049

site_idAD2
Number of Residues7
Detailsbinding site for residue ZN B 804
ChainResidue
BASP554
BZN803
BHOH955
BHOH958
BHOH988
BHOH1049
BHOH1133

site_idAD3
Number of Residues7
Detailsbinding site for residue SO4 B 805
ChainResidue
BLYS497
BLEU595
BGLY597
BHIS598
BASN599
BHOH1070
BHOH1090

site_idAD4
Number of Residues7
Detailsbinding site for residue SO4 B 806
ChainResidue
ALEU537
ALEU646
AASN647
BLEU537
BLEU646
BASN647
BARG652

site_idAD5
Number of Residues8
Detailsbinding site for residue SO4 B 807
ChainResidue
BPHE472
BGLU473
BASN474
BARG510
BARG558
BHIS570
BHOH903
BHOH924

site_idAD6
Number of Residues9
Detailsbinding site for residue SO4 B 808
ChainResidue
BSER605
BSER605
BSER605
BSER606
BSER606
BSER606
BHOH921
BHOH921
BHOH921

site_idAD7
Number of Residues7
Detailsbinding site for residue GOL B 809
ChainResidue
BARG457
BGLU461
BHIS466
BPHE467
BASP468
BLYS695
BHOH920

Functional Information from PROSITE/UniProt
site_idPS00126
Number of Residues12
DetailsPDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDLdHrGfsNsY
ChainResidueDetails
AHIS553-TYR564

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsBINDING: BINDING => ECO:0000269|PubMed:18477562, ECO:0007744|PDB:2ZMF
ChainResidueDetails
ACYS552
AGLU596
AGLY630
AGLN649
BCYS552
BGLU596
BGLY630
BGLN649

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PDB entries from 2024-11-20

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