Structure of PDB 6zbx Chain B Binding Site BS01

Receptor Information

>6zbx Chain B (length=337) Species: 1397 (Niallia circulans)

ASDGDTAMKAFNDTFWDPNAKMFWKDSKREKHQDFWVEAELWELVMDAYQ
HTSDPALKAELKTQIDDVYDGTVAKYGQDWTNNPFNDDIMWWAMGSARAY
QITGNPRYLEAARDHFDFVYDTQWDEEFANGGIWWLNSDHNTKNACINFP
AAQAALYLYDITKDEHYLNAATKIFRWGKTMLTDGNGKVFDRIEIEHGAV
PDATHYNQGTYIGSAVGLYKATGNAVYLDDAVKAAKFTKNHLVDSNGVLN
YEGPNGDLKGGKTILMRNLAHLQKTLDETGQYPEFSAEFDEWLAFNIEMA
WSHQNSDHIVDGNWAGLLSGTYESWSSAAAVQALNGI

Ligand information

• Ligand ID: PBW
• InChI: InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4+,5+,6-,7-
• InChIKey: QFYQIWDMMSKNFF-VQPJZGIOSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C(C1C(C(C(C(C1O)O)O)O)O)O
  CACTVS 3.385: OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.385: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
  OpenEye OEToolkits 2.0.7: C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O
• Formula: C7 H14 O6
• Name: (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
• PDB chain: 6zbx Chain B Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zbx Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
• Resolution: 1.35 Å
• Binding residue (original residue number in PDB): W73 D124 D125 W172 D294
• Binding residue (residue number reindexed from 1): W36 D87 D88 W135 D257
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.1.101: mannan endo-1,6-alpha-mannosidase.

Gene Ontology

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6zbx, PDBe:6zbx, PDBj:6zbx
• PDBsum: 6zbx
• PubMed: 33878235
• UniProt: A0A6B9HEB8