Structure of PDB 4zdk Chain B Binding Site BS04

Receptor Information
>4zdk Chain B (length=534) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATKHLFVSGGVASSLGKGLTASSLGQLLTARGLHVTMQKLDPYLNVDPG
TMNPFQHGEVFVTEDGAETDLDVGHYERFLDRNLPGSANVTTGQVYSTVI
AKERRGEYLGDTVQVIPHITDEIKRRILAMAQPDADGNRPDVVITEIGGT
VGDIESQPFLEAARQVRHYLGREDVFFLHVSLVPYLAPSGELKTKPTQHS
VAALRSIGITPDALILRCDRDVPEALKNKIALMCDVDIDGVISTPDAPSI
YDIPKVLHREELDAFVVRRLNLPFRDVDWTEWDDLLRRVHEPHETVRIAL
VGKYVELSDAYLSVAEALRAGGFKHRAKVEICWVASDGCETTSGAAAALG
DVHGVLIPGGFGIRGIEGKIGAIAYARARGLPVLGLCLGLQCIVIEAARS
VGLTNANSAEFDPDTPDPVIATMGGTMRLGSYPAVLEPDSVVAQAYQTTQ
VSERHRHRYEVNNAYRDKIAESGLRFSGTSPDGHLVEFVEYPPDRHPFVV
GTQAHPELKSRPTRPHPLFVAFVGAAIDYKAGEL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4zdk Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zdk Thiophenecarboxamide Derivatives Activated by EthA Kill Mycobacterium tuberculosis by Inhibiting the CTP Synthetase PyrG.
Resolution3.49 Å
Binding residue
(original residue number in PDB)		G25 D78 E152
Binding residue
(residue number reindexed from 1)		G19 D72 E146
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.4.2: CTP synthase (glutamine hydrolyzing).
Gene Ontology
Molecular Function
GO:0003883 CTP synthase activity
GO:0004359 glutaminase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006221 pyrimidine nucleotide biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0006541 glutamine metabolic process
GO:0019856 pyrimidine nucleobase biosynthetic process
GO:0044210 'de novo' CTP biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zdk, PDBe:4zdk, PDBj:4zdk
PDBsum4zdk
PubMed26097035
UniProtP9WHK7|PYRG_MYCTU CTP synthase (Gene Name=pyrG)

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