Structure of PDB 4jex Chain B Binding Site BS01

Receptor Information
>4jex Chain B (length=383) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPVKAPADFIPVKGKGSRVWDQQGKEYIDFAGGIAVTALGHCHPALVEAL
KSQGETLWHTSNVFTNEPALRLGRKLIDATFAERVLFMNSGTEANETAFK
LARHYACVRHSPFKTKIIAFHNAFHGRSLFTVSVGGQPKYSDGFGPKPAD
IIHVPFNDLHAVKAVMDDHTCAVVVEPIQGEGGVQAATPEFLKGLRDLCD
EHQALLVFDEVQCGMGRTGDLFAYMHYGVTPDILTSAKALGGGFPVSAML
TTQEIASAFGSTYGGNPLACAVAGATFDIINTPEVLQGIHTKRQQFVQHL
QAIDEQFDIFSDIRGMGLLIGAELKPKYKGRARDFLYAGAEAGVMVLNAG
ADVMRFAPSLVVEEADIHEGMQRFAQAVGKVVA
Ligand information
Ligand IDTNF
InChIInChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H
InChIKeyOXNIZHLAWKMVMX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(cc(c(c1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
CACTVS 3.341Oc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O
ACDLabs 10.04O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1O)[N+]([O-])=O
FormulaC6 H3 N3 O7
NamePICRIC ACID;
2,4,6-TRINITROPHENOL
ChEMBLCHEMBL108541
DrugBankDB03651
ZINCZINC000001883067
PDB chain4jex Chain B Residue 508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4jex Conformational transitions, ligand specificity and catalysis in N-acetylornithine aminotransferase: Implications on drug designing and rational enzyme engineering in omega aminotransferases
Resolution1.43 Å
Binding residue
(original residue number in PDB)		P19 K21
Binding residue
(residue number reindexed from 1)		P2 K4
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F141 E193 D226 Q229 K255 T284 R377
Catalytic site (residue number reindexed from 1) F124 E176 D209 Q212 K238 T262 R355
Enzyme Commision number 2.6.1.11: acetylornithine transaminase.
2.6.1.17: succinyldiaminopimelate transaminase.
Gene Ontology
Molecular Function
GO:0003992 N2-acetyl-L-ornithine:2-oxoglutarate 5-aminotransferase activity
GO:0008483 transaminase activity
GO:0009016 succinyldiaminopimelate transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0006525 arginine metabolic process
GO:0006526 L-arginine biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jex, PDBe:4jex, PDBj:4jex
PDBsum4jex
PubMed
UniProtP40732|ARGD_SALTY Acetylornithine/succinyldiaminopimelate aminotransferase (Gene Name=argD)

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