Structure of PDB 7p90 Chain A Binding Site BS03

Receptor Information

>7p90 Chain A (length=226) Species: 179392 (Paradendryphiella salina)

FYTAPSTESKFTEVLSKAKLQYPTSTTVAFADDLLDGYAASYFYLTSDLY
MQFQVAGSSQRSELREMETSGDEAAWDCTGSTAHVASAQIAIPVQEDGIE
EVTILQVHDSDVTPVLRISWVSSITIDGVTSEDVVLATIRNGIDDSTATK
TVLQAHTTSRTEFNINVQNSKLSITVDGTTELDEADISQFDGSTCYFKAG
AYNNNPTDTSANARIKMYELEWVDHH

Ligand information

• Ligand ID: MAW
• InChI: InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1
• InChIKey: IAKKJSVSFCTLRY-NVFHJIOMSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C1=C(OC(C(C1O)O)O)C(=O)O
  OpenEye OEToolkits 2.0.7: C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O
  CACTVS 3.385: O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
  ACDLabs 12.01: OC1C(O)C(O)C=C(O1)C(=O)O
  CACTVS 3.385: O[C@@H]1OC(=C[C@H](O)[C@@H]1O)C(O)=O
• Formula: C6 H8 O6
• Name: 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
  4-deoxy-alpha-L-erythro-hex-4-enuronic acid;
  4-deoxy-L-erythro-hex-4-enuronic acid;
  4-deoxy-erythro-hex-4-enuronic acid
• DrugBank: DB02734
• PDB chain: 7p90 Chain B Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7p90 Crystal structure of Paradendryphiella salina PL7A alginate lyase in complex with tetra-mannuronic acid products
• Resolution: 1.87 Å
• Binding residue (original residue number in PDB): R82 Q127 H129 V133 Y223
• Binding residue (residue number reindexed from 1): R61 Q106 H108 V112 Y202
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016829 lyase activity

External links

• PDB: RCSB:7p90, PDBe:7p90, PDBj:7p90
• PDBsum: 7p90
• UniProt: A0A485PVH1