Structure of PDB 7u6h Chain C Binding Site BS01
Receptor Information
>7u6h Chain C (length=253) Species:
132476
(Pseudomonas kilonensis) [
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SLVIEVMEQQLAKHFQAILQDENRMKQIRNEFRRDGYFNFKNFSFLPKRI
LENVHAEVHALLDEYSVRRDVTVPSTGNTYRKMYNVNQPEIAEGGTFIPA
LYQSESLRKFLGNIAGDDLASCWEQEQYLVTKLSHPGDTHGWHWGDYPYT
MIWIIEAPEDPAIGGVLQCVPHSEWDKQNPQIWQYILNNPIKSYHHLKGD
VYFLKSDTTLHHVVPIQQETTRIILNTCWASAHDRRTDVAHESIEVIWDT
KAR
Ligand information
Ligand ID
ORN
InChI
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKey
AHLPHDHHMVZTML-BYPYZUCNSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
C(C[C@@H](C(=O)O)N)CN
CACTVS 3.370
NCCC[CH](N)C(O)=O
CACTVS 3.370
NCCC[C@H](N)C(O)=O
ACDLabs 12.01
O=C(O)C(N)CCCN
OpenEye OEToolkits 1.7.6
C(CC(C(=O)O)N)CN
Formula
C5 H12 N2 O2
Name
L-ornithine
ChEMBL
CHEMBL446143
DrugBank
DB00129
ZINC
ZINC000001532530
PDB chain
7u6h Chain C Residue 303 [
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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)
R87 E132 H146 H149 W150 S249 I250 W254
Binding residue
(residue number reindexed from 1)
R81 E126 H140 H143 W144 S243 I244 W248
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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