Structure of PDB 7u6h Chain A Binding Site BS01
Receptor Information
>7u6h Chain A (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 A 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
Binding residue
(residue number reindexed from 1)
R81 E126 H140 H143 W144 S243 I244
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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