Structure of PDB 1dcp Chain C Binding Site BS01

Receptor Information
>1dcp Chain C (length=99) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HRLSAEERDQLLPNLRAVGWNELEGRDAIFKQFHFKDFNRAFGFMTRVAL
QAEKLDHHPEWFNVYNKVHITLSTHECAGLSERDINLASFIEQVAVSMT
Ligand information
Ligand IDHBI
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
InChIKeyFEMXZDUTFRTWPE-DZSWIPIPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O
CACTVS 3.341C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O
ACDLabs 10.04O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N
CACTVS 3.341C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O
FormulaC9 H13 N5 O3
Name7,8-DIHYDROBIOPTERIN
ChEMBL
DrugBankDB04400
ZINCZINC000018181336
PDB chain1dcp Chain C Residue 105 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dcp High-resolution structures of the bifunctional enzyme and transcriptional coactivator DCoH and its complex with a product analogue.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		D61 H62 H63
Binding residue
(residue number reindexed from 1)		D56 H57 H58
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E58 H62 H63 H80 E81 D89
Catalytic site (residue number reindexed from 1) E53 H57 H58 H75 E76 D84
Enzyme Commision number 4.2.1.96: 4a-hydroxytetrahydrobiopterin dehydratase.
Gene Ontology
Molecular Function
GO:0003713 transcription coactivator activity
GO:0004505 phenylalanine 4-monooxygenase activity
GO:0008124 4-alpha-hydroxytetrahydrobiopterin dehydratase activity
GO:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0006558 L-phenylalanine metabolic process
GO:0006729 tetrahydrobiopterin biosynthetic process
GO:0008150 biological_process
GO:0019293 tyrosine biosynthetic process, by oxidation of phenylalanine
GO:0043393 regulation of protein binding
GO:0045893 positive regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1dcp, PDBe:1dcp, PDBj:1dcp
PDBsum1dcp
PubMed8897596
UniProtP61459|PHS_RAT Pterin-4-alpha-carbinolamine dehydratase (Gene Name=Pcbd1)

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