Structure of PDB 5cm7 Chain A Binding Site BS04

Receptor Information

>5cm7 Chain A (length=305) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MAEFSIIDQYFNRQSHPDVALGIGDDSALITPPPNQQLVICADTLVAGRH
FPLETSPHAIGWKSVAVNLSDIAAMGAKPHSILLAISLPQVDHEWLEGFS
QGIYDCCNQFGVALIGGDTTQGPHLTITVTAMGWIETGKAVLRSGAKVGD
YVCVSGQIGDAAYGLQHLGHSLQQRLDYPTPRCKLGEELKGLASSMIDVS
DGLAQDLGHILKASKVGARLILEKLPVDPVLQQIEEQQRWQYALAGGDDY
ELCFTITPQNYEKLLQKQLDVKITMIGQIVEQTKLTFEHLGSDYPLQIHG
YQHFA

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

5cm7 Chain A Residue 408 [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	5cm7 Crystal structures of thiamine monophosphate kinase from Acinetobacter baumannii in complex with substrates and products.
Resolution	1.55 Å
Binding residue (original residue number in PDB)	D71 D198
Binding residue (residue number reindexed from 1)	D71 D198
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.4.16: thiamine-phosphate kinase.

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0005524	ATP binding
GO:0009030	thiamine-phosphate kinase activity
GO:0016301	kinase activity
GO:0046872	metal ion binding

	Biological Process
GO:0009228	thiamine biosynthetic process
GO:0009229	thiamine diphosphate biosynthetic process
GO:0016310	phosphorylation

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Molecular Function

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Biological Process

External links

PDB	RCSB:5cm7, PDBe:5cm7, PDBj:5cm7
PDBsum	5cm7
PubMed	30867460
UniProt	A0A0D5YC82

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