Structure of PDB 1js8 Chain A Binding Site BS01

Receptor Information

>1js8 Chain A (length=382)

AIIRKNVNSLTPSDIKELRDAMAKVQADTSDNGYQKIASYHGIPLSCHYE
NGTAYACCQHGMVTFPNWHRLLTKQMEDALVAKGSHVGIPYWDWTTTFAN
LPVLVTEEKDNSFHHAHIDVANTDTTRSPRAQLFSFFYRQIALALEQTDF
CDFEIQFEIGHNAIHSWVGGSSPYGMSTLHYTSYDPLFYLHHSNTDRIWS
VWQALQKYRGLPYNTANCEINKLVKPLKPFNLDTNPNAVTKAHSTGATSF
DYHKLGYDYDNLNFHGMTIPELEEHLKEIQHEDRVFAGFLLRTIGQSADV
NFDVCTKDGECTFGGTFCILGGEHEMFWAFDRLFKYDITTSLKHLRLDAH
DDFDIKVTIKGIDGHVLSNKYLSPPTVFLAPA

Ligand information

• Ligand ID: MAN
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 1js8 Chain C Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1js8 Crystal structure of a functional unit from Octopus hemocyanin.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): I2804 G2805 Y2881
• Binding residue (residue number reindexed from 1): I294 G295 Y371
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0016491 oxidoreductase activity

External links

• PDB: RCSB:1js8, PDBe:1js8, PDBj:1js8
• PDBsum: 1js8
• PubMed: 9614947
• UniProt: O61363|HCYG_ENTDO Hemocyanin G-type, units Oda to Odg (Gene Name=ODHCY)