Structure of PDB 7u6h Chain D Binding Site BS02
Receptor Information
>7u6h Chain D (length=253) Species:
132476
(Pseudomonas kilonensis) [
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SLVIEVMEQQLAKHFQAILQDENRMKQIRNEFRRDGYFNFKNFSFLPKRI
LENVHAEVHALLDEYSVRRDVTVPSTGNTYRKMYNVNQPEIAEGGTFIPA
LYQSESLRKFLGNIAGDDLASCWEQEQYLVTKLSHPGDTHGWHWGDYPYT
MIWIIEAPEDPAIGGVLQCVPHSEWDKQNPQIWQYILNNPIKSYHHLKGD
VYFLKSDTTLHHVVPIQQETTRIILNTCWASAHDRRTDVAHESIEVIWDT
KAR
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
7u6h Chain D Residue 306 [
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Receptor-Ligand Complex Structure
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PDB
7u6h
Biocatalytic control of site-selectivity and chain length-selectivity in radical amino acid halogenases.
Resolution
2.0 Å
Binding residue
(original residue number in PDB)
H146 H149 Y208 H217 V219 R228 N232
Binding residue
(residue number reindexed from 1)
H140 H143 Y202 H211 V213 R222 N226
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:7u6h
,
PDBe:7u6h
,
PDBj:7u6h
PDBsum
7u6h
PubMed
36913566
UniProt
A0A0F4XRB2
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