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
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Sequence: | AQIRRKFEMFTYARFDSEITMVPSVAA |
Sec Struct: | HHHHHHHTTEEEEEEEEEEEEEEEEEE |
PDB ligands within a cut-off distance of 6 Å in this loop |
Ligands | Residue | atSS | atLOOP |
DAOLAURIC ACID | F - 118 | 1 | 0 |
DAOLAURIC ACID | S - 120 | 1 | 0 |
DAOLAURIC ACID | I - 122 | 1 | 0 |
DAOLAURIC ACID | M - 124 | 1 | 0 |
PDB Site Annotation |
Site | Residue | atSS | atLOOP |
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 - 112 | 0 | 1 |