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5AXQ

Crystal structure of the catalytic domain of PDE10A complexed with highly potent and brain-penetrant PDE10A Inhibitor with 2-oxindole scaffold

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 Residues6
Detailsbinding site for residue MG A 1001
ChainResidue
AASP554
AHOH1118
AHOH1122
AHOH1130
AHOH1136
AHOH1258

site_idAC2
Number of Residues6
Detailsbinding site for residue ZN A 1002
ChainResidue
AASP664
AHOH1118
AHOH1201
AHIS519
AHIS553
AASP554

site_idAC3
Number of Residues9
Detailsbinding site for residue 4LP A 1003
ChainResidue
ATYR514
AALA626
ALEU665
ATYR683
AGLN716
APHE719
AHOH1123
AHOH1139
AHOH1239

site_idAC4
Number of Residues6
Detailsbinding site for residue MG B 1001
ChainResidue
BASP554
BHOH1112
BHOH1113
BHOH1117
BHOH1160
BHOH1226

site_idAC5
Number of Residues6
Detailsbinding site for residue ZN B 1002
ChainResidue
BHIS519
BHIS553
BASP554
BASP664
BHOH1117
BHOH1152

site_idAC6
Number of Residues15
Detailsbinding site for residue 4LK B 1003
ChainResidue
ALEU696
AGLY697
AILE698
BTYR514
BHIS515
BLEU625
BALA626
BPHE629
BLEU665
BTYR683
BPHE686
BGLN716
BPHE719
BHOH1133
BHOH1216

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
AGLN640
AMET659
BASN562
BSER606
BGLN640
BMET659
AASN562
ASER606

221051

PDB entries from 2024-06-12

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