6VLM
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Integrase | polymer | 177 | 19515.2 | 2 | UniProt (A0A0U2U525) Pfam (PF00665) UniProt (by SIFTS) (P03367) In PDB | Human immunodeficiency virus 1 | |
2 | A, B | [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid | non-polymer | 342.8 | 3 | Chemie (R2D) | |||
3 | water | water | 18.0 | 47 | Chemie (HOH) |
Sequence modifications
A, B: 49 - 212 (UniProt: A0A0U2U525)
PDB | External Database | Details |
---|---|---|
Met 36 | - | initiating methionine |
Ala 37 | - | expression tag |
His 38 | - | expression tag |
His 39 | - | expression tag |
His 40 | - | expression tag |
His 41 | - | expression tag |
His 42 | - | expression tag |
His 43 | - | expression tag |
Leu 44 | - | expression tag |
Val 45 | - | expression tag |
Pro 46 | - | expression tag |
Arg 47 | - | expression tag |
Gly 48 | - | expression tag |
Ser 49 | Ala 49 | conflict |
Ser 56 | Cys 56 | conflict |
Asp 139 | Phe 139 | conflict |
His 185 | Phe 185 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 39030.4 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 1028.4 | |
All* | Total formula weight | 40058.8 |