Structure of PDB 5c3s Chain C Binding Site BS01
Receptor Information
>5c3s Chain C (length=311) Species:
5141
(Neurospora crassa) [
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MEKAAVNEDGLVIPLIDFSKFLEGDETLKLETAKAILHGFQTAGFIYLKN
IPIQPDFREHVFNTSAKFFKLPKEKKLEVGWTTPEANRGYSAPPDIKESY
EIGREDEPGHPNPWPAEQDDLVGFKSTMNNFFDQCKALHIEVMRAIAVGM
GIDANYFDSFVDVGDNILRLLHYPAVKSEVFKINPGQVRAGEHTDYGSIT
LLFQDSRGGLQVKSPNGQFIDATPIENTVVVNAGDLLARWSNDTIKSTVH
RVVEPPKQEDVHPPRYSIAYFCNPNHKSYIEAIPGTYAAESERKYEGINS
GKYLVQRLAAT
Ligand information
Ligand ID
AKG
InChI
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKey
KPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6
C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385
OC(=O)CCC(=O)C(O)=O
Formula
C5 H6 O5
Name
2-OXOGLUTARIC ACID
ChEMBL
CHEMBL1686
DrugBank
DB08845
ZINC
ZINC000001532519
PDB chain
5c3s Chain C Residue 402 [
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Receptor-Ligand Complex Structure
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PDB
5c3s
Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Resolution
2.15 Å
Binding residue
(original residue number in PDB)
R190 L192 Y194 H214 L223 H271 V273 R286 S288 F292
Binding residue
(residue number reindexed from 1)
R169 L171 Y173 H193 L202 H250 V252 R265 S267 F271
Annotation score
4
Binding affinity
MOAD
: Kd=34.4uM
Enzymatic activity
Catalytic site (original residue number in PDB)
R190 A211 H214 D216 H271
Catalytic site (residue number reindexed from 1)
R169 A190 H193 D195 H250
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
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Biological Process
External links
PDB
RCSB:5c3s
,
PDBe:5c3s
,
PDBj:5c3s
PDBsum
5c3s
PubMed
26429971
UniProt
Q7RYZ9
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