Structure of PDB 1nbe Chain B Binding Site BS01

Receptor Information

>1nbe Chain B (length=153) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPS
GEMGRKDLIKIENTFLSEDQVDQLALYAPQAAVNRIDNYEVVGKSRPSLP
ERIDNVLVCPNSNCISHAEPVSSSFAVRKRANDIALKCKYCEKEFSHNVV
LAN

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Zn++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Zn+2]

Formula

Name

ZINC ION

PDB chain

1nbe Chain B Residue 154 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1nbe A single mutation in the regulatory chain of Escherichia coli aspartate transcarbamoylase results in an extreme T-state structure.
Resolution	2.6 Å
Binding residue (original residue number in PDB)	C109 C114 C138 C141
Binding residue (residue number reindexed from 1)	C109 C114 C138 C141
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.1.3.2: aspartate carbamoyltransferase.

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0008270	zinc ion binding
GO:0046872	metal ion binding

	Biological Process
GO:0006207	'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221	pyrimidine nucleotide biosynthetic process

	Cellular Component
GO:0005737	cytoplasm
GO:0009347	aspartate carbamoyltransferase complex

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Cellular Component

External links

PDB	RCSB:1nbe, PDBe:1nbe, PDBj:1nbe
PDBsum	1nbe
PubMed	9680480
UniProt	P0A7F3\|PYRI_ECOLI Aspartate carbamoyltransferase regulatory chain (Gene Name=pyrI)

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