Structure of PDB 6yx3 Chain A Binding Site BS01

Receptor Information

>6yx3 Chain A (length=297) Species: 561007 (Mycobacteroides abscessus ATCC 19977)

SMRPSLSDYQHVASGKVRELYRVDDEHLLFVATDRISAFDFVLDTPIPDK
GRILTAMSVFFFGLLTVPNHLAGPPDDPRIPEEVLGRALLVRRLDMLPVE
CVARGYLTGSGLLDYQRTGAVCGHVLPQGLGEASRLDPPLFTPATKADIG
EHDMNVDFAAVVGLVGAVRANQLRDETIKIYTRAAAHALHKGIILADTKF
EFGVDIEGNLVLADEVFTPDSSRYWDAAHYQPGVVQDSFDKQFVRNWLTG
PESGWDRASDTPPPPLPDEVAVATRERYIEAYERISGLSFSDWIGPS

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6yx3 Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6yx3 Development of Inhibitors of SAICAR Synthetase (PurC) from Mycobacterium abscessus Using a Fragment-Based Approach.
• Resolution: 1.22 Å
• Binding residue (original residue number in PDB): G14 K15 V16 R17
• Binding residue (residue number reindexed from 1): G15 K16 V17 R18
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.2.6: phosphoribosylaminoimidazolesuccinocarboxamide synthase.

Gene Ontology

Molecular Function

• GO:0004639 phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity

Biological Process

• GO:0006164 purine nucleotide biosynthetic process
• GO:0006189 'de novo' IMP biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6yx3, PDBe:6yx3, PDBj:6yx3
• PDBsum: 6yx3
• PubMed: 35037462
• UniProt: B1MHW4|PUR7_MYCA9 Phosphoribosylaminoimidazole-succinocarboxamide synthase (Gene Name=purC)