1XUO
X-ray structure of LFA-1 I-domain bound to a 1,4-diazepane-2,5-dione inhibitor at 1.8A resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Integrin alpha-L | polymer | 188 | 21425.6 | 2 | UniProt (P20701) Pfam (PF00092) In PDB | Homo sapiens (human) | Leukocyte adhesion glycoprotein LFA-1 alpha chain, LFA-1A, Leukocyte function associated molecule 1, alpha chain, CD11a |
| 2 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 3 | A | (2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE | non-polymer | 536.7 | 1 | Chemie (LA1) | |||
| 4 | water | water | 18.0 | 246 | Chemie (HOH) |
Sequence modifications
A, B: 127 - 311 (UniProt: P20701)
| PDB | External Database | Details |
|---|---|---|
| Met 124 | - | cloning artifact |
| Ala 125 | - | cloning artifact |
| Ser 126 | - | cloning artifact |
| Trp 189 | Arg 214 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42851.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 585.3 | |
| All* | Total formula weight | 43436.4 |
