Structure of PDB 4bjr Chain A Binding Site BS02

Receptor Information
>4bjr Chain A (length=500) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TVESALTRRIMGIETEYGLTFVDGDSKKLRPDEIARRMFRPIVEKYSSSN
IFIPNGSRLYLNVGSHPEYATAECDNLTQLINFEKAGDVIADRMAVDAEE
SLAKEDIAGQVYLFKNNVDSVGNSYGCHENYLVGRSMPLKALGKRLMPFL
ITRQLICGAGRIHHPNPSFPLGYCISQRSDHVWEGVSSASRPIINTRDEP
HADSHSYRRLHVIVGDANMAEPSIALKVGSTLLVLEMIEADFGLPSLELA
NDIASIREISRDATGSTLLSLKDGTTMTALQIQQVVFEHASKWLEQRPEP
EFSGTSNTEMARVLDLWGRMLKAIESGDFSEVDTEIDWVIKKKLIDRFIQ
RGNLGLDDPKLAQVDLTYHDIRPGRGLFSVLQSRGMIKRWTTDEAILAAV
DTAPDTTRAHLRGRILKAADTLGVPVTVDWMRHKVNRPEPQSVELGDPFS
AVNSEVDQLIEYMTVHAGSASGTSLLDEIDGLLENNAEEFVRSYVQKGGE
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 chain4bjr Chain A Residue 1517 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4bjr Crystal Structure of the Complex between Prokaryotic Ubiquitin-Like Protein Pup and its Ligase Pafa.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E16 Y62 E70
Binding residue
(residue number reindexed from 1)		E14 Y60 E68
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.1.19: prokaryotic ubiquitin-like protein ligase.
6.3.2.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
GO:0019787 ubiquitin-like protein transferase activity
GO:0031386 protein tag activity
GO:0046872 metal ion binding
GO:0070628 proteasome binding
Biological Process
GO:0010498 proteasomal protein catabolic process
GO:0019941 modification-dependent protein catabolic process
GO:0070490 protein pupylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4bjr, PDBe:4bjr, PDBj:4bjr
PDBsum4bjr
PubMed23601177
UniProtQ8NQE0;
Q8NQE1|PAFA_CORGL Pup--protein ligase (Gene Name=pafA)

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