Structure of PDB 6qxl Chain K Binding Site BS01

Receptor Information

>6qxl Chain K (length=482) Species: 287 (Pseudomonas aeruginosa)

MSVRRTKIVATLGPASNSPEVLEQLILAGIDVARLNFSHGTPDEHRARAR
LVRELAAKHGRFVALLGDLQGPKIRIAKFANKRIELQVGDKFRFSTSHAR
DAGTQEVVGIDYPDLVKDCGVGDELLLDDGRVVMVVEEVAADELRCRVLI
GGPLSDHKGINRRGGGLTAPALTDKDKADIKLAADMDLDYVAVSFPRDAK
MEYARRLLTEAGGKAWLVAKIERAEAVADDDALDGLIRASDAVMVARGDL
GVEIGDAELVGIQKKIILHARRNNKVVITATQMMESMIHSPMPTRAEVSD
VANAVLDYTDAVMLSAESAAGEYPVEAVKAMARVCQGAEKHPTSQKSSHR
LGQTFDRCDESIALASMYTANHFPGIKAIICLTESGFTPLIMSRIRSSVP
IYAYSPHRETQARVAMFRGVETIPFDPAALPAEKVSQAAVDELLKRGVVT
KGDWVILTKGDSYTAQGGTNTMKVLHVGDLLV

Ligand information

• Ligand ID: G6P
• InChI: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
• InChIKey: NBSCHQHZLSJFNQ-DVKNGEFBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O
  CACTVS 3.341: O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
• Formula: C6 H13 O9 P
• Name: 6-O-phosphono-alpha-D-glucopyranose;
  ALPHA-D-GLUCOSE-6-PHOSPHATE;
  6-O-phosphono-alpha-D-glucose;
  6-O-phosphono-D-glucose;
  6-O-phosphono-glucose
• DrugBank: DB02007
• ZINC: ZINC000003875375
• PDB chain: 6qxl Chain K Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qxl Evolutionary plasticity in the allosteric regulator-binding site of pyruvate kinase isoform PykA fromPseudomonas aeruginosa.
• Resolution: 2.43 Å
• Binding residue (original residue number in PDB): L383 T384 E385 S386 T389 G461 S463 Y464 G468
• Binding residue (residue number reindexed from 1): L382 T383 E384 S385 T388 G460 S462 Y463 G467
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): R34 R75 K221 T282
• Catalytic site (residue number reindexed from 1): R34 R75 K220 T281
• Enzyme Commision number: 2.7.1.40: pyruvate kinase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004743 pyruvate kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0030955 potassium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006096 glycolytic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:6qxl, PDBe:6qxl, PDBj:6qxl
• PDBsum: 6qxl
• PubMed: 31484721
• UniProt: Q9HW72