Structure of PDB 1gqy Chain B Binding Site BS02

Receptor Information
>1gqy Chain B (length=469) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEIRKIIPEMRRVQQIHFIGIGGAGMSGIAEILLNEGYQISGSDIADGVV
TQRLAQAGAKIYIGHAEEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVI
QRAQMLAEIMRFRHGIAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLV
KSAGKNAHLGASRYLIAEADESDASFLHLQPMVSVVTNMEPDHMDTYEGD
FEKMKATYVKFLHNLPFYGLAVMCADDPVLMELVPKVGRQVITYGFSEQA
DYRIEDYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAALAVAKE
EGIANEAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGV
TIKAAREGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYA
AGEAPIVGADSKSLCRSIRNLGKVDPILVSDTSQLGDVLDQIIQDGDLIL
AQGAGSVSKISRGLAESWK
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 chain1gqy Chain B Residue 1476 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1gqy Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T130 E173
Binding residue
(residue number reindexed from 1)		T125 E168
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K129 T130 L154 E173 H198
Catalytic site (residue number reindexed from 1) K124 T125 L149 E168 H193
Enzyme Commision number 6.3.2.8: UDP-N-acetylmuramate--L-alanine ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008763 UDP-N-acetylmuramate-L-alanine ligase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1gqy, PDBe:1gqy, PDBj:1gqy
PDBsum1gqy
PubMed
UniProtP45066|MURC_HAEIN UDP-N-acetylmuramate--L-alanine ligase (Gene Name=murC)

[Back to BioLiP]