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4HF4

Crystal Structure of PDE10A with a biaryl ether inhibitor (1-(1-(3-(4-(benzo[d]thiazol-2-ylamino)phenoxy)pyrazin-2-yl)piperidin-4-yl)ethanol)

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
AHOH1103
AHOH1220

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN A 1002
ChainResidue
AHOH1107
AHOH1166
AHOH1185
AHOH1190
AHOH1220
AASP554
AZN1001

site_idAC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1003
ChainResidue
APHE472
AGLU473
AASN474
AARG510
AARG558
AHOH1296

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1004
ChainResidue
ALYS497
AGLY597
AHIS598
AASN599
AHOH1132

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1005
ChainResidue
AVAL512
APRO513
AARG558
AGLY559
AGLU685
AALA688

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1006
ChainResidue
ALEU537
ALEU646
AASN647
AARG652
BLEU537
BASN647
BARG652

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1007
ChainResidue
AARG510
AARG511

site_idAC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1008
ChainResidue
ALEU575
ATYR576
ASER577
ATHR578
AGLN583

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 1009
ChainResidue
AASN508
AGLN588
ASER591
AILE592

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1010
ChainResidue
AARG486
AGLN532
AHIS535
AHOH1211
AHOH1276
BTHR641
BGLY642

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1011
ChainResidue
ASER650
AHIS651
AARG654

site_idBC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE 15H A 1012
ChainResidue
ATYR514
ALEU665
AVAL668
AILE682
ATYR683
APHE686
APRO702
AMET703
ALYS708
AGLU711
AGLY715
AGLN716
APHE719
AHOH1268
AHOH1290

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 801
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BZN802
BHOH909
BHOH910

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ZN B 802
ChainResidue
BASP554
BZN801
BHOH910
BHOH949
BHOH951
BHOH969
BHOH972

site_idBC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 803
ChainResidue
BPHE472
BGLU473
BASN474
BARG510
BARG558
BHIS570
BHOH1055

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 804
ChainResidue
BARG510
BARG511
BHOH1176

site_idBC8
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 805
ChainResidue
BGLY697
BILE698
BGLN699
BHOH1001
BHOH1169
BPRO673

site_idBC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 806
ChainResidue
BLYS497
BGLY597
BHIS598
BASN599
BHOH1077
BHOH1078

site_idCC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 807
ChainResidue
AASN645
BTHR539
BASP540
BHOH1122

site_idCC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 808
ChainResidue
BASN508
BGLN588
BSER591
BILE592

site_idCC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 809
ChainResidue
BVAL512
BPRO513
BARG558
BGLY559
BGLU685
BALA688

site_idCC4
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 15H B 810
ChainResidue
BASP664
BLEU665
BSER667
BVAL668
BILE682
BTYR683
BPHE686
BPRO702
BMET703
BLYS708
BGLU711
BVAL712
BGLY715
BGLN716
BPHE719
BHOH1041

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
AASN562
ASER606
AGLN640
AMET659
BASN562
BSER606
BGLN640
BMET659

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PDB entries from 2024-07-10

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