Structure of PDB 5m06 Chain B Binding Site BS02

Receptor Information

>5m06 Chain B (length=248) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ALASGVTFAGYTVVRMLGCSAMGEVYLVQHPGFPGWQALKVLSPAMAADD
EFRRRFQRETEVAARLFHPHILEVHDRGEFDGQLWIAMDYVDGIDATQHM
ADRFPAVLPVGEVLAIVTAVAGALDYAHQRGLLHRDVNPANVVLTSGDQR
ILLADFGIASQPSYPAPELSAGADVDGRADQYALALTAIHLFAGAPPVDR
SPLQPPKLSAFRPDLARLDGVLSRALATAPADRFGSCREFADAMNEQA

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

5m06 Chain B Residue 302 [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	5m06 The crystal structure of PknI from Mycobacterium tuberculosis shows an inactive, pseudokinase-like conformation.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	N142 D159
Binding residue (residue number reindexed from 1)	N141 D155
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D137 N139 N142 Q165
Catalytic site (residue number reindexed from 1)	D136 N138 N141 Q161
Enzyme Commision number	2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

	Molecular Function
GO:0004672	protein kinase activity
GO:0005524	ATP binding

	Biological Process
GO:0006468	protein phosphorylation

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Molecular Function

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Biological Process

External links

PDB	RCSB:5m06, PDBe:5m06, PDBj:5m06
PDBsum	5m06
PubMed	28054744
UniProt	P9WI69\|PKNI_MYCTU Serine/threonine-protein kinase PknI (Gene Name=pknI)

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