3T3M
A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (A, C) | Integrin alpha-IIb | polymer | 457 | 49516.0 | 2 | UniProt (P08514) Pfam (PF01839) | Homo sapiens (human) | GPalpha IIb, GPIIb, Platelet membrane glycoprotein IIb, Integrin alpha-IIb heavy chain, Integrin alpha-IIb light chain, form 1, Integrin alpha-IIb light chain, form 2 |
| 2 | B, D (B, D) | Integrin beta-3 | polymer | 472 | 52087.9 | 2 | UniProt (P05106) Pfam (PF17205) Pfam (PF00362) Pfam (PF18372) | Homo sapiens (human) | Platelet membrane glycoprotein IIIa, GPIIIa |
| 3 | E, G (E, H) | Monoclonal antibody 10E5 heavy chain | polymer | 221 | 23766.5 | 2 | Mus musculus | ||
| 4 | F, H (F, L) | Monoclonal antibody 10E5 light chain | polymer | 214 | 23332.7 | 2 | Mus musculus | ||
| 5 | I (G) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G22768VO) | |||
| 6 | J, L (I, K) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 7 | K (J) | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G81315DD) | |||
| 8 | AA, BA, EA, FA, M... (C, D, A, B) | CALCIUM ION | non-polymer | 40.1 | 12 | Chemie (CA) | |||
| 9 | CA, Q (C, A) | N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide | non-polymer | 385.4 | 2 | Chemie (RC2) | |||
| 10 | IA, R, S, T (L, A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 11 | GA, W (D, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 12 | DA, HA, X (C, D, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 13 | JA, KA, LA, MA, NA... (A, B, C, D, E...) | water | water | 18.0 | 855 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 297406.1 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2508.3 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2184.8 | |
| All* | Total formula weight | 302099.2 |
