Structure of PDB 4ew9 Chain A Binding Site BS07

Receptor Information

>4ew9 Chain A (length=195) Species: 521460 (Caldicellulosiruptor bescii DSM 6725)

GTNTGGVLVITDTIIVKSGQTYDGKGIKIIAQGMGDGSQSENQKPIFKLE
KGANLKNVIIGAPGCDGIHCYGDNVVENVVWEDVGEDALTVKSEGVVEVI
GGSAKEAADKVFQLNAPCTFKVKNFTATNIGKLVRQNGNTTFKVVIYLED
VTLNNVKSCVAKSDSPVSELWYHNLNVNNCKTLFEFPSQSQIHQY

Ligand information

• Ligand ID: DGU
• InChI: InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)/t2-,3+,4+,5-/m0/s1
• InChIKey: IAJILQKETJEXLJ-RSJOWCBRSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(=O)C(C(C(C(C(=O)O)O)O)O)O
  CACTVS 3.370: O[CH](C=O)[CH](O)[CH](O)[CH](O)C(O)=O
  CACTVS 3.370: O[C@@H](C=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
  OpenEye OEToolkits 1.7.0: C(=O)[C@@H]([C@H]([C@H]([C@@H](C(=O)O)O)O)O)O
  ACDLabs 12.01: O=C(O)C(O)C(O)C(O)C(O)C=O
• Formula: C6 H10 O7
• Name: D-galacturonic acid;
  D-Galacturonate
• ZINC: ZINC000100029328
• PDB chain: 4ew9 Chain A Residue 210

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ew9 The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E39 Q111
• Binding residue (residue number reindexed from 1): E41 Q113
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 4.2.2.2: pectate lyase.

Gene Ontology

Molecular Function

• GO:0030570 pectate lyase activity

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:4ew9, PDBe:4ew9, PDBj:4ew9
• PDBsum: 4ew9
• PubMed: 23519661
• UniProt: B9MKT4