Structure of PDB 5c3p Chain A Binding Site BS01

Receptor Information
>5c3p Chain A (length=329) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEKAAVNEDGLVIPLIDFSKFLEGDETLKLETAKAILHGFQTAGFIYLKN
IPIQPDFREHVFNTSAKFFKLPKEKKLEVGWTTPEANRGYSAPGREKVTQ
LTDPAEIEKAPDIKESYEIGREDEPGHPNPWPAEQDDLVGFKSTMNNFFD
QCKALHIEVMRAIAVGMGIDANYFDSFVDVGDNILRLLHYPAVKSEVFKI
NPGQVRAGEHTDYGSITLLFQDSRGGLQVKSPNGQFIDATPIENTVVVNA
GDLLARWSNDTIKSTVHRVVEPPKQEDVHPPRYSIAYFCNPNHKSYIEAI
PGTYAAESERKYEGINSGKYLVQRLAATY
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain5c3p Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c3p Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R190 Y194 H214 L223 H271 V273 R286 S288 F292
Binding residue
(residue number reindexed from 1)		R186 Y190 H210 L219 H267 V269 R282 S284 F288
Annotation score4
Binding affinityMOAD: Kd=34.4uM
PDBbind-CN: -logKd/Ki=4.46,Kd=34.4uM
Enzymatic activity
Catalytic site (original residue number in PDB) R190 A211 H214 D216 H271
Catalytic site (residue number reindexed from 1) R186 A207 H210 D212 H267
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0044283 small molecule biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5c3p, PDBe:5c3p, PDBj:5c3p
PDBsum5c3p
PubMed26429971
UniProtQ7RYZ9

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