Structure of PDB 1ynh Chain C Binding Site BS01

Receptor Information
>1ynh Chain C (length=439) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AWEVNFDGLVGLTHHYAGLSFGNEASTRHRFQVSNPRLAAKQGLLKMKAL
ADAGFPQAVIPPHERPFIPVLRQLGFSGSDEQVLEKVARQAPHWLSSVSS
ASPMWVANAATIAPSADTLDGKVHLTVANLNNKFHRSLEAPVTESLLKAI
FNDEEKFSVHSALPQVALLGDEGAANHNRLGGHYGEPGMQLFVYGREEGN
DTRPSRYPARQTREASEAVARLNQVNPQQVIFAQQNPDVIDQGVFHNDVI
AVSNRQVLFCHQQAFARQSQLLANLRARVNGFMAIEVPATQVSVSDTVST
YLFNSQLLSRDDGSMMLVLPQECREHAGVWGYLNELLAADNPISELKVFD
LRESMANGGGPACLRLRVVLTEEERRAVNPAVMMNDTLFNALNDWVDRYY
RDRLTAADLADPQLLREGREALDVLSQLLNLGSVYPFQR
Ligand information
Ligand IDSUO
InChIInChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyVWXQFHJBQHTHMK-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.341NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
CACTVS 3.341NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)O)CCCN)CCC(=O)O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN
FormulaC9 H16 N2 O5
NameN~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE;
N~2~-SUCCINYLORNITHINE
ChEMBL
DrugBankDB03582
ZINC
PDB chain1ynh Chain C Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1ynh Crystal structure of N-succinylarginine dihydrolase AstB, bound to substrate and product, an enzyme from the arginine catabolic pathway of Escherichia coli.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		G20 S22 N25 S28 W107 H137 R138 R212 N359 C365
Binding residue
(residue number reindexed from 1)		G18 S20 N23 S26 W105 H135 R136 R210 N357 C363
Annotation score3
Enzymatic activity
Enzyme Commision number 3.5.3.23: N-succinylarginine dihydrolase.
Gene Ontology
Molecular Function
GO:0009015 N-succinylarginine dihydrolase activity
GO:0016787 hydrolase activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006525 arginine metabolic process
GO:0006527 arginine catabolic process
GO:0019544 arginine catabolic process to glutamate
GO:0019545 arginine catabolic process to succinate

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ynh, PDBe:1ynh, PDBj:1ynh
PDBsum1ynh
PubMed15703173
UniProtP76216|ASTB_ECOLI N-succinylarginine dihydrolase (Gene Name=astB)

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