Structure of PDB 7ti7 Chain A Binding Site BS02

Receptor Information
>7ti7 Chain A (length=442) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLKVVAGLGISGVSAVNFLHEQGYQVAVTDSRPTPPGHDQIPAGVKTSFG
QLDQELLLQAEEIILSPGLAPQLPEIQAAIAKGISVVGDIQLLRRATDVP
IVAITGSNAKSTVTTLIGLMAKDAGKKVAVGGNLGRPALDLLKDQPELLV
LELSSFQLETTSHLNAEVAVVLNMSEDHLDRHGNMLGYHQAKHRIFQGAK
KVVFNRDDALSRPLVPDTTPMQSFGLNAPDLNQYGVLRDADGTLWLARGL
QRLIKSSDLYIQGMHNVANALACLALGEAIGLPMESMLETLKQFKGLEHR
CEYVKTVHDVRYYNDSKGTNVGATLAAIDGLGAAIEVKKGKVALILGGQG
KGQDFGPLRSSIEKYAKVVVLIGEDAPVIEQAIQGATKILHAATLKEAVE
LCQRETQAEDVVLLSPACASFDMFKSYNDRGQQFVACVNSLV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7ti7 Chain A Residue 506 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ti7 Crystal Structure of UDP-N-acetylmuramoylalanine-D-glutamate ligase from Acinetobacter baumannii AB5075-UW in complex with ADP
Resolution1.5 Å
Binding residue
(original residue number in PDB)		S117 E158
Binding residue
(residue number reindexed from 1)		S111 E152
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.9: UDP-N-acetylmuramoyl-L-alanine--D-glutamate ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008764 UDP-N-acetylmuramoylalanine-D-glutamate 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:7ti7, PDBe:7ti7, PDBj:7ti7
PDBsum7ti7
PubMed
UniProtB7H1N2|MURD_ACIB3 UDP-N-acetylmuramoylalanine--D-glutamate ligase (Gene Name=murD)

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