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4MUW

Crystal Structure of PDE10A with Novel Keto-Benzimidazole 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 Residues5
DetailsBINDING SITE FOR RESIDUE ZN A 1001
ChainResidue
AHIS519
AHIS553
AASP554
AASP664
AZN1002

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN A 1002
ChainResidue
AHOH1171
AHOH1172
AASP554
AZN1001
AHOH1104
AHOH1170

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1003
ChainResidue
APHE472
AGLU473
AASN474
AARG510
AARG558

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1004
ChainResidue
ALYS497
ALEU595
AGLY597
AHIS598
AASN599
AHOH1129

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

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE SO4 A 1006
ChainResidue
ALEU537
ALEU646
AASN647
AARG652
BLEU537
BLEU646
BASN647
BARG652

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

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1008
ChainResidue
ASER577
ATHR578
AGLN583

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1009
ChainResidue
AASN508
AGLN588
ASER591

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1010
ChainResidue
AARG486
AGLN532
AHIS535
AHOH1102
AHOH1144
BTHR641
BGLY642

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE GOL A 1011
ChainResidue
AGLN634
ASER650
AARG654

site_idBC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2F4 A 1012
ChainResidue
ATYR514
ALEU625
AILE682
ATYR683
APHE686
APRO702
AMET703
ALYS708
AGLU711
AGLY715
AGLN716
APHE719
AHOH1185

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 801
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BZN802
BHOH970

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ZN B 802
ChainResidue
BASP554
BZN801
BHOH904
BHOH914
BHOH969

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 B 803
ChainResidue
BPHE472
BGLU473
BASN474
BARG510
BARG558
BHOH918

site_idBC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 804
ChainResidue
BARG510
BARG511
BHOH916

site_idBC8
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 805
ChainResidue
BPRO673
BLYS694
BGLY697
BILE698
BGLN699

site_idBC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 806
ChainResidue
BLYS497
BGLY597
BHIS598
BASN599

site_idCC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 807
ChainResidue
BHOH923
BHOH925
AASN645
BTHR539
BASP540

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

site_idCC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 809
ChainResidue
BVAL512
BPRO513
BARG558
BGLY559
BPHE560
BGLU685
BALA688

site_idCC4
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 2F4 B 810
ChainResidue
BLEU625
BVAL668
BILE682
BTYR683
BPHE686
BPRO702
BLYS708
BGLU711
BVAL712
BGLY715
BGLN716
BPHE719

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

223532

PDB entries from 2024-08-07

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