Structure of PDB 2qdg Chain B Binding Site BS01

Receptor Information

>2qdg Chain B (length=366) Species: 5665 (Leishmania mexicana)

MSRVTVLQSQLPAYNRLKTPYESELIATVKKLTTPGKGLLAADESIGSCT
KRFQPIGLSNTEEHRRQYRALMLEAEGFEQYISGVILHDETVGQKASNGQ
TFPEYLTARGVVPGIKTDMGLCPLLEGAEGEQMTEGLDGYVKRASAYYKK
GCRFCKWRNVYKIQNGTVSESAVRFNAETLARYAILSQMSGLVPIVEPEV
MIDGKHDIDTCQRVSEHVWREVVAALQRHGVIWEGCLLKPNMVVPGAESG
KTAAPEQVAHYTVMTLARTMPAMLPGVMFLSGGLSEVQASEYLNAINNSP
LPRPYFLSFSYARALQSSALKAWGGKESGLAAGRRAFLHRARMNSMAQLG
KYKRSDDDASSSSLYV

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 2qdg Chain B Residue 2003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2qdg Carboxy-Terminus Recruitment Induced by Substrate Binding in Eukaryotic Fructose Bis-phosphate Aldolases
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): R158 E197 E199
• Binding residue (residue number reindexed from 1): R158 E197 E199
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D43 K156 E197 E199 K239 S310
• Catalytic site (residue number reindexed from 1): D43 K156 E197 E199 K239 S310
• Enzyme Commision number: 4.1.2.13: fructose-bisphosphate aldolase.

Gene Ontology

Molecular Function

• GO:0004332 fructose-bisphosphate aldolase activity
• GO:0016829 lyase activity

Biological Process

• GO:0006096 glycolytic process
• GO:0030388 fructose 1,6-bisphosphate metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:2qdg, PDBe:2qdg, PDBj:2qdg
• PDBsum: 2qdg
• PubMed: 17661446
• UniProt: Q9U5N6