Structure of PDB 3u54 Chain A Binding Site BS01

Receptor Information

>3u54 Chain A (length=225) Species: 70601 (Pyrococcus horikoshii OT3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AKKMIPIDDDKLIMEFKDDATAFDGTKKARFKGKGWLNAQLSVIFFKLLE
EHGIKTHFIGVAGGNRLIVEKLDMYPLEVVVRNVVAGSLKKRLPLPEGYE
LPEPIVELYYKNDELHDPMINYYHAKVLGISLDEIKKIEEIALKVNEILK
DYLAKKGIILVDFKLEFGKDKDIVLADEISPDTCRFWDAKTKRSLDKDVF
RFDKGDLIEAYKEIYERITGEKPEF

Ligand information

Ligand ID

InChI

InChI=1S/Cd/q+2

InChIKey

WLZRMCYVCSSEQC-UHFFFAOYSA-N

SMILES

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

Formula

Name

CADMIUM ION

ChEMBL

DrugBank

ZINC

PDB chain

3u54 Chain A Residue 400 [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	3u54 Structure of SAICAR synthetase from Pyrococcus horikoshii OT3: insights into thermal stability
Resolution	2.35 Å
Binding residue (original residue number in PDB)	E158 D162
Binding residue (residue number reindexed from 1)	E147 D151
Annotation score	1

Enzymatic activity

Enzyme Commision number

6.3.2.6: phosphoribosylaminoimidazolesuccinocarboxamide synthase.

Gene Ontology

	Molecular Function
GO:0004639	phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
GO:0005524	ATP binding
GO:0016874	ligase activity

	Biological Process
GO:0006164	purine nucleotide biosynthetic process
GO:0006189	'de novo' IMP biosynthetic process
GO:0009236	cobalamin biosynthetic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3u54, PDBe:3u54, PDBj:3u54
PDBsum	3u54
PubMed	23137517
UniProt	O57978\|PUR7_PYRHO Phosphoribosylaminoimidazole-succinocarboxamide synthase (Gene Name=purC)

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