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Information on 1aym_1_104
Loop code: 1aym_1_104
PDB: 1aym
Chain: 1
Type: HE alpha-beta
Loop Start: 104  Loop Length: 2
Sec Struct Nt length: 7  Sec Struct Ct length: 18
Structure geometry
d (Å): 13.357700 delta (°): 133.237305theta (°): 66.599503 rho (°): 141.898407
Sequence:AQIRRKFEMFTYARFDSEITMVPSVAA
Sec Struct:HHHHHHHTTEEEEEEEEEEEEEEEEEE
PDB ligands within a cut-off distance of 6 Å in this loop
LigandsResidueatSSatLOOP
DAOLAURIC ACID F - 11810
DAOLAURIC ACID S - 12010
DAOLAURIC ACID I - 12210
DAOLAURIC ACID M - 12410
PDB Site Annotation
SiteResidueatSSatLOOP
PO2 - STRAND H IN VP1 IS OBSERVED IN TWO CONFORMATIONS, DEPENDING ON WHETHER THE FATTY ACID IS PRESENT OR NOT. CONFORMATION A (1 210 A -1 218 A) REPRESENTS THE OPEN FORM OF THE POCKET WITH THE FATTY ACID PRESENT AND RESEMBLES THE STRUCTURE ORIGINALLY OBSERVED IN HRV16 (2RHN), HRV1A, CVB3, POLIO STRAINS. CONFORMATION B (1 101 B - 1 218 B) REPRESENT THE CLOSED FORM OF THE POCKET WHICH RESEMBLES THE NATIVE STRUCTURE OF HRV14 MORE CLOSELY. A WATER MOLECULE (HOH 5 377) IS MODELLED IN THE POSITION OF THE FATTY ACID HEAD GROUP IN THE CLOSED CONFORMATION. THIS DUAL OCCUPANCY IS NOT OBSERVED USING THE DATA SET WHICH THE MODEL 2RHN WAS BASED ON. M - 11201