Structure of PDB 8de6 Chain G Binding Site BS01

Receptor Information

>8de6 Chain G (length=401) Species: 9606 (Homo sapiens)

SHIDCRMSPWSEWSQCDPCLRQMFRSRSIEVFGQFNGKRCTDAVGDRRQC
VPTEPCEDAEDDCGNDFQCSTGRCIKMRLRCNGDNDCGDFSDEDDCESEP
RPPCRDRVVEESELARTAGYGINILGMDPLSTPFDNEFYNGLCNRDRDGN
TLTYYRRPWNVASLIYETKGEKNFRTEHYEEQIEASYSSKKEKMFLHVKG
EIHLGRFVMRNRDVVLTTTFVDDIKALPTTYEKGEYFAFLETYGTHYSSS
GSLGGLYELIYVLDKASMKRKVNITSENLIDDVVSLIRGGTRKYAFELKE
KLLRGTVIDVTDFVNWASSINDAPVLISQKLSPIYNLVPVKMKNAHLKKQ
NLERAIEDYINEFSVRKCHTCQNGGTVILMDGKCLCACPFKFEGIACEIS
K

Ligand information

• Ligand ID: BMA
• 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-RWOPYEJCSA-N
• SMILES:
  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(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]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: beta-D-mannopyranose;
  beta-D-mannose;
  D-mannose;
  mannose
• ZINC: ZINC000003830679
• PDB chain: 8de6 Chain G Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8de6 The neoepitope of the complement C5b-9 Membrane Attack Complex is formed by proximity of adjacent ancillary regions of C9.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): W27 R42
• Binding residue (residue number reindexed from 1): W10 R25
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0006955 immune response

Cellular Component

• GO:0005579 membrane attack complex

External links

• PDB: RCSB:8de6, PDBe:8de6, PDBj:8de6
• PDBsum: 8de6
• PubMed: 36639734
• UniProt: P02748|CO9_HUMAN Complement component C9 (Gene Name=C9)