Structure of PDB 5nem Chain 3 Binding Site BS01

Receptor Information

>5nem Chain 3 (length=220) Species: 12118 (Foot-and-mouth disease virus O)

GIFPVACSDGYGGLVTTDPKTADPAYGKVFNPPRNMLPGRFTNFLDVAEA
CPTFLRFEGDVPYVTTKTDSDRILAQFDLSLAAKHMSNTFLAGLAQYYTQ
YSGTINLHFMFTGPTDAKARYMIAYAPPGMEPPKTPEAAAHCIHAEWDTG
LNSKFTFSIPYLSAADYAYTASDTAETTNVQGWVCLFQITHGKADGDALV
VLASAGKDFELRLPVDARTQ

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: 5nem Chain 3 Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nem Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
• Resolution: 10.8 Å
• Binding residue (original residue number in PDB): R56 D60 K84
• Binding residue (residue number reindexed from 1): R56 D60 K84
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.4.22.46: L-peptidase.
  3.6.1.15: nucleoside-triphosphate phosphatase.

Gene Ontology

Molecular Function

• GO:0005198 structural molecule activity

External links

• PDB: RCSB:5nem, PDBe:5nem, PDBj:5nem
• PDBsum: 5nem
• PubMed: 28534487
• UniProt: Q6ZZ87