Structure of PDB 4z03 Chain A Binding Site BS08

Receptor Information

>4z03 Chain A (length=195) Species: 521460 (Caldicellulosiruptor bescii DSM 6725)

GTNTGGVLVITDTIIVKSGQTYDGKGIKIIAQGMGDGSQSENQKPIFKLE
KGANLKNVIIGAPGCDGIHCYGDNVVENVVWEDVGEDALTVKSEGVVEVI
GGSAKEAADAVFQLNAPCTFKVKNFTATNIGKLVRQNGNTTFKVVIYLED
VTLNNVKSCVAKSDSPVSELWYHNLNVNNCKTLFEFPSQSQIHQY

Ligand information

• Ligand ID: GTR
• InChI: InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
• InChIKey: AEMOLEFTQBMNLQ-DTEWXJGMSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)O)O)O
  ACDLabs 12.01: C1(C(C(C(C(C(=O)O)O1)O)O)O)O
  CACTVS 3.385: O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
  OpenEye OEToolkits 1.7.6: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.385: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
• Formula: C6 H10 O7
• Name: beta-D-galactopyranuronic acid;
  beta-D-galacturonic acid;
  D-galacturonic acid;
  galacturonic acid
• DrugBank: DB03652
• ZINC: ZINC000004097542
• PDB chain: 4z03 Chain A Residue 209

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4z03 The catalytic mechanism and unique low pH optimum of Caldicellulosiruptor bescii family 3 pectate lyase.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): D107 K130 R133
• Binding residue (residue number reindexed from 1): D109 K132 R135
• 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:4z03, PDBe:4z03, PDBj:4z03
• PDBsum: 4z03
• PubMed: 26327384
• UniProt: B9MKT4