7X2S: Crystal Structure of hetero-Diels-Alderase PycR1 in complex with Neosetophomone B and tropolone o-quinone methide

PDB ID: 7X2SDownload
MMDB ID: 228572
PDB Deposition Date: 2022/2/26
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 1.92  Å
Source Organism:
Similar Structures:
Biological Unit for 7X2S: monomeric; determined by author and by software (PISA)
Molecular Components in 7X2S
Label Count Molecule
Protein (1 molecule)
1
Pycr1
Molecule annotation
Chemicals and Non-standard biopolymers (20 molecules)
1
4
2-acetamido-2-deoxy-beta-D-glucopyranose2-acetamido-2-deoxy-beta-D-glucopyranose
2
1
beta-D-mannopyranosebeta-D-mannopyranose
3
4
alpha-D-mannopyranosealpha-D-mannopyranose
4
1
(1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one(1~{S},3~{R},11~{R},13~{S},14~{Z},18~{E})-1,8,14,17,17-pentamethyl-5,13-bis(oxidanyl)-2-oxatricyclo[9.9.0.0^{3,9}]icosa-4,7,9,14,18-pentaen-6-one
5
1
6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione6-methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione
6
5
1,2-ETHANEDIOL1,2-ETHANEDIOL
7
1
2-(N-MORPHOLINO)-ETHANESULFONIC ACID2-(N-MORPHOLINO)-ETHANESULFONIC ACID
8
1
CALCIUM IONCALCIUM ION
9
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
10
1
GLYCEROLGLYCEROL
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303