Structure of PDB 5vk4 Chain A Binding Site BS02

Receptor Information
>5vk4 Chain A (length=324) Species: 485 (Neisseria gonorrhoeae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAGDQLVEKIKPFAKRTMRPEVLGALVEIGKKYQNPVLVSGTDGVGTKLK
LAFDWDKHDTVGIDLVAMSVNDILVQGAEPLFFLDYFACGKLDVPRATDV
IKGIAQGCEESGCALIGGETAEMPGMYPVGEYDLAGFAVGVVEKENVITG
LSVGAGDMVLGLASNGAHSNGYSLIRKIIERDNPDLDAEFDNGKTLREAV
IAPTRLYVKPILAALEKFTIKGMAHITGGGITENVPRVLPKNTVAQIDAE
SWELPKLFQWLQKAGNVETQEMYRTFNCGIGMVVIVAAEDADAVRSFLSG
QGETVYRLGCIRERQGNEHQTQVA
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 chain5vk4 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vk4 Crystal structure of a phosphoribosylformylglycinamidine cyclo-ligase from Neisseria gonorrhoeae bound to AMPPNP and magnesium
Resolution2.65 Å
Binding residue
(original residue number in PDB)		D63 D92
Binding residue
(residue number reindexed from 1)		D43 D72
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.3.1: phosphoribosylformylglycinamidine cyclo-ligase.
Gene Ontology
Molecular Function
GO:0004637 phosphoribosylamine-glycine ligase activity
GO:0004641 phosphoribosylformylglycinamidine cyclo-ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0046084 adenine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:5vk4, PDBe:5vk4, PDBj:5vk4
PDBsum5vk4
PubMed
UniProtQ5F973|PUR5_NEIG1 Phosphoribosylformylglycinamidine cyclo-ligase (Gene Name=purM)

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