Structure of PDB 3ork Chain A Binding Site BS02

Receptor Information

>3ork Chain A (length=274) Species: 419947 (Mycobacterium tuberculosis H37Ra) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SHMTTPSHLSDRYELGEILGFGGMSEVHLARDLRDHRDVAVKVLRADLAR
DPSFYLRFRREAQNAAALNHPAIVAVYDTGEAETPAGPLPYIVMEYVDGV
TLRDIVHTEGPMTPKRAIEVIADACQALNFSHQNGIIHRDVKPANIMISA
TNAVKVMDFGIATAQYLSPEQARGDSVDARSDVYSLGCVLYEVLTGEPPF
TGDSPVSVAYQHVREDPIPPSARHEGLSADLDAVVLKALAKNPENRYQTA
AEMRADLVRVHNGEPPEAPKVLTD

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

3ork Chain A Residue 341 [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	3ork Allosteric activation mechanism of the Mycobacterium tuberculosis receptor Ser/Thr kinase, PknB
Resolution	1.6 Å
Binding residue (original residue number in PDB)	N143 D156
Binding residue (residue number reindexed from 1)	N145 D158
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	D138 K140 A142 N143 D156 T179
Catalytic site (residue number reindexed from 1)	D140 K142 A144 N145 D158 T163
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:3ork, PDBe:3ork, PDBj:3ork
PDBsum	3ork
PubMed
UniProt	P9WI81\|PKNB_MYCTU Serine/threonine-protein kinase PknB (Gene Name=pknB)

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