Structure of PDB 4add Chain B Binding Site BS03

Receptor Information
>4add Chain B (length=400) Species: 511693 (Escherichia coli BL21) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QPITRENFDEWMIPVYAPAPFIPVRGEGSRLWDQQGKEYIDFAGGIAVNA
LGHAHPELREALNEQASKFWHTGNGYTNEPVLRLAKKLIDATFADRVFFC
NSGAEANEAALKLARKFAHDRYGSHKSGIVAFKNAFHGRTLFTVSAGGQP
AYSQDFAPLPADIRHAAYNDINSASALIDDSTCAVIVEPIQGEGGVVPAS
NAFLQGLRELCNRHNALLIFDEVQTGVGRTGELYAYMHYGVTPDLLTTAK
ALGGGFPVGALLATEECARVMTVGTHGTTYGGNPLASAVAGKVLELINTP
EMLNGVKQRHDWFVERLNTINHRYGLFSEVRGLGLLIGCVLNADYAGQAK
QISQEAAKAGVMVLIAGGNVVRFAPALNVSEEEVTTGLDRFAAACEHFVS
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 chain4add Chain B Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4add Determination of the Structure of the Catabolic N-Succinylornithine Transaminase (Astc) from Escherichia Coli.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Y18 F138 R141 E195 K252
Binding residue
(residue number reindexed from 1)		Y16 F136 R139 E193 K250
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F138 E190 D223 Q226 K252 T281 R374
Catalytic site (residue number reindexed from 1) F136 E188 D221 Q224 K250 T279 R372
Enzyme Commision number 2.6.1.81: succinylornithine transaminase.
Gene Ontology
Molecular Function
GO:0003992 N2-acetyl-L-ornithine:2-oxoglutarate 5-aminotransferase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
GO:0043825 succinylornithine transaminase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006525 arginine metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0006527 arginine catabolic process
GO:0006593 ornithine catabolic process
GO:0019544 arginine catabolic process to glutamate
GO:0019545 arginine catabolic process to succinate
GO:0042450 arginine biosynthetic process via ornithine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4add, PDBe:4add, PDBj:4add
PDBsum4add
PubMed23484010
UniProtP77581|ASTC_ECOLI Succinylornithine transaminase (Gene Name=astC)

[Back to BioLiP]