Structure of PDB 7npp Chain A Binding Site BS03

Receptor Information

>7npp Chain A (length=227) Species: 179392 (Paradendryphiella salina)

FYTAPSTESKFTEVLSKAKLQYPTSTTVAFADDLLDGYAASYFYLTSDLY
MQFQVAGSSQRSELREMETSGDEAAWDCTGSTAHVASAQIAIPVQEDGIE
EVTILQVHDSDVTPVLRISWVSSITIDGVTSEDVVLATIRNGIDDSTATK
TVLQAHTTSRTEFNINVQNSKLSITVDGTTELDEADISQFDGSTCYFKAG
AFNNNPTDTSANARIKMYELEWVDHHH

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: 7npp Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7npp Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with penta-mannuronic acid
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): R82 Q127 H129 V133 P135 F223
• Binding residue (residue number reindexed from 1): R61 Q106 H108 V112 P114 F202
• 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:7npp, PDBe:7npp, PDBj:7npp
• PDBsum: 7npp
• UniProt: A0A485PVH1