Structure of PDB 6jpn Chain A Binding Site BS01

Receptor Information

>6jpn Chain A (length=770) Species: 1473580 (Defluviitalea phaphyphila)

ANYETYDGFKVSEEPVLPEKEVHPSLWFTKSDIQKIKEKKNEDSFTAELW
EEISNSPYLTMEIPTDIPSATDSDTDIHKYYGNMSRIAKYNAFMYLMTGK
SEYRLRATEALKRAFDGPIYEMDPTVSGSGVDEIYRAVWAQNFATAYDWI
QPYLSDEDDEIIRERLAKEAQVVYENLYTWGPRPHNALSKPAWGLGTLAL
TLSDHPDASKWLNRALEAANTNTLYFFNKDGHYREGAHYYVYSLVNLIPF
LYHYKNVSGVNYFPEYKNIFEWAVKIRNGRGWMPNVEDSWIKPAPTHMVA
SQYKDTDTDLHSTAKLANILQWSYFNTDFRPWEPDGSYTGASYDDTWDID
QYLTYDSTIEQIKPDVSGTVFMNNSGQTVFRSDWNFNNPNSRYLLFQGVA
EADNHYHYDHLSFIIHAENQMMASDSGYSRNSYGEGIRTSWYLTAEAHNV
ITANGEHPKDVSENTTPVSRYDMDTDFFDFQEKEAVYDGFTFPEKNSYDF
SGKQIRAIGFPRQDYFVVADQLFSDKEVQYDLYLHGGRGEMSGEGNYRLW
TYEDDRYGQEAKMAAWVFPSKESIFIDKEGEVNYEAGAFNSYGYLNARQI
AKDTMFMQIIVPLSKYADIPEVVDLSTDDVVGGTVVKDNEKDTFMQQLNN
AENSLGDITTDATFAYTNENSNNELQHFSVRQGTSLDYKGENIFVSNKPI
TFALDISDETQYKGTIAALNETVELRVKNPVGVPTESVVVNGENIEFSVE
DGYTVIQVAEGGDININFGE

Ligand information

• Ligand ID: BEM
• 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-SYJWYVCOSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(=O)O)O)O
  OpenEye OEToolkits 1.5.0: C1(C(C(OC(C1O)O)C(=O)O)O)O
  CACTVS 3.341: O[CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O
  ACDLabs 10.04: O=C(O)C1OC(O)C(O)C(O)C1O
  CACTVS 3.341: O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O
• Formula: C6 H10 O7
• Name: beta-D-mannopyranuronic acid;
  beta-D-mannuronic acid;
  D-mannuronic acid;
  mannuronic acid;
  (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
• ZINC: ZINC000004095780
• PDB chain: 6jpn Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6jpn The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): P182 R183 H185
• Binding residue (residue number reindexed from 1): P182 R183 H185
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 4.2.2.3: mannuronate-specific alginate lyase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

External links

• PDB: RCSB:6jpn, PDBe:6jpn, PDBj:6jpn
• PDBsum: 6jpn
• PubMed: 31624143
• UniProt: A0A4Y5UXE1