Structure of PDB 5c5h Chain B Binding Site BS01

Receptor Information
>5c5h Chain B (length=448) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMIFSDWPWRHWRQVRGETIALRLNDEQLNWRELCARVDELASGFAVQGV
VEGSGVMLRAWNTPQTLLAWLALLQCGARVLPVNPQLPQPLLEELLPNLT
LQFALVPDGENTFPALTSLHIQLVEGAHAATWQPTRLCSMTLTSGGLPKA
AVHTYQAHLASAQGVLSLIPFGDHDDWLLSLPLFHVSGQGIMWKWLYAGA
RMTVRDKQPLEQMLAGCTHASLVPTQLWRLLVNRSSVSLKAVLLGGAAIP
VELTEQAREQGIRCFCGYGLTEFASTVCAKEADGLADVGSPLPGREVKIV
NNEVWLRAASMAEGYWRNGQLVSLVNDEGWYATRDRGEMHNGKLTIVGRL
DNLFFSGGEGIQPEEVERVIAAHPAVLQVFIVPVADKEFGHRPVAVMEYD
HESVDLSEWVKDKLARFQQPVRWLTLPPELKGIKISRQALKEWVQRQQ
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 chain5c5h Chain B Residue 502 [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]
PDB5c5h Mechanism of MenE Inhibition by Acyl-Adenylate Analogues and Discovery of Novel Antibacterial Agents.
Resolution2.401 Å
Binding residue
(original residue number in PDB)		N61 P183
Binding residue
(residue number reindexed from 1)		N62 P182
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T142 S162 H186 G270 E273 F356 G361
Catalytic site (residue number reindexed from 1) T143 S161 H185 G269 E272 F355 G360
Enzyme Commision number 6.2.1.26: o-succinylbenzoate--CoA ligase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008756 o-succinylbenzoate-CoA ligase activity
GO:0016874 ligase activity
GO:0016877 ligase activity, forming carbon-sulfur bonds
GO:0042802 identical protein binding
Biological Process
GO:0009234 menaquinone biosynthetic process
Cellular Component
GO:0032991 protein-containing complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5c5h, PDBe:5c5h, PDBj:5c5h
PDBsum5c5h
PubMed26394156
UniProtP37353|MENE_ECOLI 2-succinylbenzoate--CoA ligase (Gene Name=menE)

[Back to BioLiP]