Structure of PDB 5d3z Chain A Binding Site BS01

Receptor Information

>5d3z Chain A (length=263) Species: 1836 (Saccharopolyspora erythraea)

SSALRDGYRQAGVSGRVRSYLDLLAGLSDFREHFDGSDGFSLDLVDMADG
PGEVTVICCAGTAAISGPHEFTRLAGALRGIAPVRAVPQPGYEEGEPLPS
SMAAVAAVQADAVIRTQGDKPFVVAGHSAGALMAYALATELLDRGHPPRG
VVLIDVYPPQDAMNAWLEELTATLFDRETVRMDDTRLTALGAYDRLTGQW
RPRETGLPTLLVSAGEPMGPWPDDSWKPTWPFEHDTVAVPGDHFTMVQEH
ADAIARHIDAWLG

Ligand information

• Ligand ID: 57H
• InChI: InChI=1S/C3H7O3P/c1-2-3-7(4,5)6/h2H,1,3H2,(H2,4,5,6)
• InChIKey: RZKYDQNMAUSEDZ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.9.2: C=CCP(=O)(O)O
  CACTVS 3.385: O[P](O)(=O)CC=C
  ACDLabs 12.01: P(O)(O)(=O)C\C=C
• Formula: C3 H7 O3 P
• Name: prop-2-en-1-ylphosphonic acid
• ZINC: ZINC000025695689
• PDB chain: 5d3z Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5d3z Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): S142 A143 H259
• Binding residue (residue number reindexed from 1): S128 A129 H243
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S142 A143 D169 H259
• Catalytic site (residue number reindexed from 1): S128 A129 D155 H243
• Enzyme Commision number: 2.3.1.94: 6-deoxyerythronolide-B synthase.

Gene Ontology

Biological Process

• GO:0009058 biosynthetic process

External links

• PDB: RCSB:5d3z, PDBe:5d3z, PDBj:5d3z
• PDBsum: 5d3z
• PubMed: 26592346
• UniProt: Q03133|ERYA3_SACER 6-deoxyerythronolide-B synthase EryA3, modules 5 and 6 (Gene Name=eryA)