Structure of PDB 5c3o Chain A Binding Site BS01

Receptor Information
>5c3o Chain A (length=260) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSMEKAAVNEDGLVIPLIDFSKFLEGDETLKLETAKAILHGFQTAGFIYL
KNIPIQPDFREHVFNTSAKFFKLPKEKKLEVGWTTPEANRGYSAPGIKES
YEIGREDEPGHPNPWPAEQDDLVGFKSTMNNFFDQCKALHIEVMRAIAVG
MGIDANYFDSFVDVGDNILRLLHYPAVQVRAGEHTDYGSITLLFQDSRGG
LQVKSPNGQFIDATPIENTVVVNAGDLLARWSNDTIKSTVHRVVEPPHPP
RYSIAYFCNP
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5c3o Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5c3o Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H214 D216 H271
Binding residue
(residue number reindexed from 1)		H184 D186 H241
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R190 A211 H214 D216 H271
Catalytic site (residue number reindexed from 1) R170 A181 H184 D186 H241
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0044283 small molecule biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5c3o, PDBe:5c3o, PDBj:5c3o
PDBsum5c3o
PubMed26429971
UniProtQ7RYZ9

[Back to BioLiP]