Structure of PDB 1b5e Chain B Binding Site BS01
Receptor Information
>1b5e Chain B (length=241) Species:
10665
(Tequatrovirus T4) [
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MISDSMTVEEIRLHLGLALKEKDFVVDKTGVKTIEIIGASFVADEPFIFG
ALNDEYIQRELEWYKSKSLFVKDIPGETPKIWQQVASSKGEINSNYGWAI
WSEDNYAQYDMCLAELGQNPDSRRGIMIYTRPSMQFDYNKDGMSDFMCTN
TVQYLIRDKKINAVVNMRSNDVVFGFRNDYAWQKYVLDKLVSDLNAGDST
RQYKAGSIIWNVGSLHVYSRHFYLVDHWWKTGETHISKKDY
Ligand information
Ligand ID
DCM
InChI
InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey
NCMVOABPESMRCP-SHYZEUOFSA-N
SMILES
Software
SMILES
CACTVS 3.341
NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.341
NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0
C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 10.04
O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
Formula
C9 H14 N3 O7 P
Name
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
ChEMBL
CHEMBL374699
DrugBank
DB03798
ZINC
ZINC000003861759
PDB chain
1b5e Chain A Residue 300 [
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Receptor-Ligand Complex Structure
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PDB
1b5e
Crystal structure of deoxycytidylate hydroxymethylase from bacteriophage T4, a component of the deoxyribonucleoside triphosphate-synthesizing complex.
Resolution
1.6 Å
Binding residue
(original residue number in PDB)
R123 R124
Binding residue
(residue number reindexed from 1)
R123 R124
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
E60 C148 D179
Catalytic site (residue number reindexed from 1)
E60 C148 D179
Enzyme Commision number
2.1.2.8
: deoxycytidylate 5-hydroxymethyltransferase.
Gene Ontology
Molecular Function
GO:0016740
transferase activity
GO:0047153
deoxycytidylate 5-hydroxymethyltransferase activity
View graph for
Molecular Function
External links
PDB
RCSB:1b5e
,
PDBe:1b5e
,
PDBj:1b5e
PDBsum
1b5e
PubMed
10064578
UniProt
P08773
|DCHM_BPT4 Deoxycytidylate 5-hydroxymethyltransferase (Gene Name=42)
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