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4MVH

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 Residues2
DetailsBINDING SITE FOR RESIDUE ZN A 1002
ChainResidue
AASP554
AZN1001

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 1003
ChainResidue
AASN474
AMET475
AARG510
AARG558
AHIS570
APHE472
AGLU473

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1004
ChainResidue
ALYS497
AGLY597
AHIS598
AASN599
AHOH1159

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE SO4 A 1005
ChainResidue
AASN647
AARG652
BLEU537
BLEU646
BASN647
BARG652

site_idAC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 1006
ChainResidue
AARG510
AARG511

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1007
ChainResidue
ASER577
ATHR578
AGLN583

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 1008
ChainResidue
AASN508
AGLN588
ASER591

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 A 1009
ChainResidue
AASP468
ALYS518
ATHR678
ALYS695
AHOH1144

site_idBC1
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2F5 A 1010
ChainResidue
ATYR514
ASER667
AVAL668
AILE682
ATYR683
APHE686
APRO702
AMET703
ALYS708
AGLY715
AGLN716
APHE719
AHOH1140

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ZN B 801
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BZN802
BHOH901

site_idBC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ZN B 802
ChainResidue
BASP554
BZN801
BHOH927

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 B 803
ChainResidue
BPHE472
BGLU473
BASN474
BMET475
BARG510
BARG558
BHIS570

site_idBC5
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 804
ChainResidue
BARG510
BARG511

site_idBC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 805
ChainResidue
BLYS497
BGLY597
BHIS598
BASN599

site_idBC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE SO4 B 806
ChainResidue
AASN645
AASN647
AASN648
BTHR539
BASP540

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 807
ChainResidue
BASN508
BGLN588
BSER591
BILE592

site_idBC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 2F5 B 808
ChainResidue
BSER667
BVAL668
BILE682
BTYR683
BPHE686
BPRO702
BMET703
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

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PDB entries from 2024-10-09

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