Structure of PDB 1p3d Chain A Binding Site BS01

Receptor Information
>1p3d Chain A (length=463) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IIPEMRRVQQIHFIGIGGAGMSGIAEILLNEGYQISGSDIADGVVTQRLA
QAGAKIYIGHAEEHIEGASVVVVSSAIKDDNPELVTSKQKRIPVIQRAQM
LAEIMRFRHGIAVAGTHGKTTTTAMISMIYTQAKLDPTFVNGGLVKSAGK
NAHLGASRYLIAEADESDASFLHLQPMVSVVTNMEPDHMDTYEGDFEKMK
ATYVKFLHNLPFYGLAVMCADDPVLMELVPKVGRQVITYGFSEQADYRIE
DYEQTGFQGHYTVICPNNERINVLLNVPGKHNALNATAALAVAKEEGIAN
EAILEALADFQGAGRRFDQLGEFIRPNGKVRLVDDYGHHPTEVGVTIKAA
REGWGDKRIVMIFQPHRYSRTRDLFDDFVQVLSQVDALIMLDVYAAGEAP
IVGADSKSLCRSIRNLGKVDPILVSDTSQLGDVLDQIIQDGDLILAQGAG
SVSKISRGLAESW
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1p3d Chain A Residue 605 [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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PDB1p3d Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T130 E173
Binding residue
(residue number reindexed from 1)		T120 E163
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K129 T130 L154 E173 H198
Catalytic site (residue number reindexed from 1) K119 T120 L144 E163 H188
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1p3d, PDBe:1p3d, PDBj:1p3d
PDBsum1p3d
PubMed12837790
UniProtP45066|MURC_HAEIN UDP-N-acetylmuramate--L-alanine ligase (Gene Name=murC)

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