Structure of PDB 6apg Chain A Binding Site BS01

Receptor Information

>6apg Chain A (length=281) Species: 56 (Sorangium cellulosum)

MKAYMFPGQGSQAKGMGRALFDAFPALTARADGVLGYSIRALCQDDPDQR
LSQTQFTQPALYVVNALSYLKRREEEAPPDFLAGHSLGEFSALFAAGVFD
FETGLALVKKRGELMGDARGGGMAAVIGLDEERVRELLDQNGATAVDIAN
LNSPSQVVISGAKDEIARLQVPFEAAGAKKYTVLRVSAAFHSRFMRPAMV
EFGRFLEGYDFAPPKIPVISNVTARPCKADGIRAALSEQIASPVRWCESI
RYLMGRGVEEFVECGHGIVLTGLYAQIRRDA

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6apg Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6apg The Conformational Flexibility of the Acyltransferase from the Disorazole Polyketide Synthase Is Revealed by an X-ray Free-Electron Laser Using a Room-Temperature Sample Delivery Method for Serial Crystallography.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E207 Y209 D210
• Binding residue (residue number reindexed from 1): E207 Y209 D210
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Q9 S86 L87 R111 H191 Q239
• Catalytic site (residue number reindexed from 1): Q9 S86 L87 R111 H191 Q239
• Enzyme Commision number: 2.3.1.39: [acyl-carrier-protein] S-malonyltransferase.

Gene Ontology

Molecular Function

• GO:0004314 [acyl-carrier-protein] S-malonyltransferase activity
• GO:0016740 transferase activity

External links

• PDB: RCSB:6apg, PDBe:6apg, PDBj:6apg
• PDBsum: 6apg
• PubMed: 28832129
• UniProt: Q4U443