Structure of PDB 1vs1 Chain A Binding Site BS01

Receptor Information

>1vs1 Chain A (length=270) Species: 56636 (Aeropyrum pernix) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VAGFKGVKLALKSEERRETVVEVEGVRIGGGSKAVIAGPCSVESWEQVRE
AALAVKEAGAHMLRGGAFKPRTSPYSFQGLGLEGLKLLRRAGDEAGLPVV
TEVLDPRHVETVSRYADMLQIGARNMQNFPLLREVGRSGKPVLLKRGFGN
TVEELLAAAEYILLEGNWQVVLVERGIRTFEPSTRFTLDVAAVAVLKEAT
HLPVIVDPSHPAGRRSLVPALAKAGLAAGADGLIVEVHPNPEEALSDAKQ
QLTPGEFARLMGELRWHRLL

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

1vs1 Chain A Residue 301 [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	1vs1 Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP
Resolution	2.3 Å
Binding residue (original residue number in PDB)	C46 H216 E242 D253
Binding residue (residue number reindexed from 1)	C40 H210 E236 D247
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.

Gene Ontology

	Molecular Function
GO:0003849	3-deoxy-7-phosphoheptulonate synthase activity
GO:0016740	transferase activity
GO:0016832	aldehyde-lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009058	biosynthetic process
GO:0009073	aromatic amino acid family biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:1vs1, PDBe:1vs1, PDBj:1vs1
PDBsum	1vs1
PubMed
UniProt	Q9YEJ7

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