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4HEU

Crystal Structure of PDE10A with a biaryl ether inhibitor ((1-(3-(4-((1H-benzo[d]imidazol-2-yl)amino)phenoxy)pyridin-2-yl)piperidin-4-yl)methanol)

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 Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 1001
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AZN1002
AHOH1159
AHOH1275

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 1002
ChainResidue
AHOH1152
AHOH1153
AHOH1155
AHOH1156
AHOH1275
AASP554
AZN1001

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1003
ChainResidue
APHE472
AGLU473
AASN474
AARG510
AARG558
AHOH1276

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1004
ChainResidue
ALYS497
ALEU595
AGLY597
AHIS598
AASN599
AHOH1111

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1005
ChainResidue
AVAL512
APRO513
AARG558
AGLY559
AGLU685

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1006
ChainResidue
ALEU537
ALEU646
AASN647
AARG652
BLEU646
BARG652

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1007
ChainResidue
ALEU625
APHE719
A15J1009
AHOH1233

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1008
ChainResidue
ATRP672
APRO673
ALYS676
ALYS694
AHOH1227

site_idAC9
Number of Residues18
DetailsBINDING SITE FOR RESIDUE 15J A 1009
ChainResidue
ATYR514
ALEU665
ATHR675
AALA679
ATYR683
APHE686
APRO702
AMET703
ALYS708
AGLU711
AGLY715
AGLN716
APHE719
ASO41007
AHOH1126
AHOH1136
AHOH1190
AHOH1233

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 801
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BZN802
BHOH901
BHOH956

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 802
ChainResidue
BASP554
BZN801
BHOH901
BHOH943
BHOH955
BHOH958
BHOH959

site_idBC3
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 B 803
ChainResidue
BPHE472
BGLU473
BASN474
BARG510
BARG558
BHIS570
BHOH909
BHOH946

site_idBC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 804
ChainResidue
BARG510
BARG511
BHOH978
BHOH992

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 805
ChainResidue
BPRO673
BLYS694
BGLY697
BILE698
BGLN699

site_idBC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 806
ChainResidue
BPRO673
BLYS676
BLYS694

site_idBC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 807
ChainResidue
BGLY597
BHIS598
BASN599
BHOH1036
BHOH1085
BLYS497

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 808
ChainResidue
AASN645
BTHR539
BASP540
BHOH1030

site_idBC9
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 15J B 809
ChainResidue
BTYR514
BLEU665
BTHR675
BALA679
BILE682
BTYR683
BPHE686
BPRO702
BMET703
BLYS708
BGLU711
BGLY715
BGLN716
BPHE719
BHOH910
BHOH961

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 Residues317
DetailsDomain: {"description":"PDEase","evidences":[{"source":"PROSITE-ProRule","id":"PRU01192","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues2
DetailsActive site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"O76083","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues12
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"17389385","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

246704

PDB entries from 2025-12-24

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