Structure of PDB 1tj7 Chain B Binding Site BS01

Receptor Information
>1tj7 Chain B (length=451) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFTQAADQRFKQFNDSLRFDYRLAEQDIVGSVAWSKALVTVGVLTAEEQA
QLEEALNVLLEDVRARPQQILESDAEDIHSWVEGKLIDKVGQLGKKLHTG
RSRNDQVATDLKLWCKDTVSELLTANRQLQSALVETAQNNQDAVMPGYTH
LQRAQPVTFAHWCLAYVEMLARDESRLQDALKRLDVSPLGCGALAGTAYE
IDREQLAGWLGFASATRNSLDSVSDRDHVLELLSAAAIGMVHLSRFAEDL
IFFNTGEAGFVELSDRVTSGSSLMPQKKNPDALELIRGKCGRVQGALTGM
MMTLKGLPLAYNKDMQEDKEGLFDALDTWLDCLHMAALVLDGIQVKRPRC
QEAAQQGYANATELADYLVAKGVPFREAHHIVGEAVVEAIRQGKPLEDLP
LSELQKFSQVIDEDVYPILSLQSCLDKRAAKGGVSPQQVAQAIAFAQARL
G
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1tj7 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tj7 Structure determination and refinement at 2.44 A resolution of argininosuccinate lyase from Escherichia coli.
Resolution2.44 Å
Binding residue
(original residue number in PDB)		S277 M280 K283
Binding residue
(residue number reindexed from 1)		S271 M274 K277
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H156 S277 K283 E290
Catalytic site (residue number reindexed from 1) H150 S271 K277 E284
Enzyme Commision number 4.3.2.1: argininosuccinate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004056 argininosuccinate lyase activity
GO:0016829 lyase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1tj7, PDBe:1tj7, PDBj:1tj7
PDBsum1tj7
PubMed15502303
UniProtP11447|ARLY_ECOLI Argininosuccinate lyase (Gene Name=argH)

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