Structure of PDB 6bmc Chain A Binding Site BS01

Receptor Information

>6bmc Chain A (length=380) Species: 287 (Pseudomonas aeruginosa)

MDDLLQRVRRCEALQQPEWGDPSRLRDVQAYLRGSPALIRAGDILALRAT
LARVARGEALVVQCGDCAEDMDDHHAENVARKAAVLELLAGALRLAGRRP
VIRVGRIAGQYAKPRSKPHEQTLPVYRGDMVNGREAHAEQRRADPQRILK
GYAAARNIMRHLGWDAASASPVWTSHEMLLLDYELSMLREDEQRRVYLGS
THWPWIGERTRQVDGAHVALLAEVLNPVACKVGPEIGRDQLLALCERLDP
RREPGRLTLIARMGAQKVGERLPPLVEAVRAAGHPVIWLSDPMHGNTIVA
PCGNKTRLVRSIAEEVAAFRLAVSGSGGVAAGLHLETTPDDVTECVADSS
GLHQVSRHYTSLCDPRLNPWQALSAVMAWS

Ligand information

• Ligand ID: PEP
• InChI: InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
• InChIKey: DTBNBXWJWCWCIK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C=C(C(=O)O)OP(=O)(O)O
  CACTVS 3.341: OC(=O)C(=C)O[P](O)(O)=O
  ACDLabs 10.04: O=C(O)C(\OP(=O)(O)O)=C
• Formula: C3 H5 O6 P
• Name: PHOSPHOENOLPYRUVATE
• ChEMBL: CHEMBL1235228
• DrugBank: DB01819
• ZINC: ZINC000003870145
• PDB chain: 6bmc Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6bmc Structural and functional characterisation of the entry point to pyocyanin biosynthesis inPseudomonas aeruginosadefines a new 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase subclass.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): R106 K113 G216 K240 R271 H303
• Binding residue (residue number reindexed from 1): R106 K113 G207 K231 R262 H294
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.

Gene Ontology

Molecular Function

• GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
• GO:0016740 transferase activity

Biological Process

• GO:0009073 aromatic amino acid family biosynthetic process

External links

• PDB: RCSB:6bmc, PDBe:6bmc, PDBj:6bmc
• PDBsum: 6bmc
• PubMed: 30242059
• UniProt: G3XCJ9