2B5T
2.1 Angstrom structure of a nonproductive complex between antithrombin, synthetic heparin mimetic SR123781 and two S195A thrombin molecules
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) | Thrombin | polymer | 49 | 5641.2 | 2 | UniProt (P00734) Pfam (PF09396) | Homo sapiens (human) | Coagulation factor II |
| 2 | B, D (B, D) | Thrombin | polymer | 259 | 29764.2 | 2 | UniProt (P00734) Pfam (PF00089) | Homo sapiens (human) | Coagulation factor II |
| 3 | E (I) | Antithrombin-III | polymer | 432 | 49091.1 | 1 | UniProt (P01008) Pfam (PF00079) | Homo sapiens (human) | ATIII |
| 4 | F, G (E, F) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 5 | H (G) | 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside | branched | 4431.1 | 1 | In PDB GlyTouCan (G47649RA) | |||
| 6 | I (H) | alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1219.1 | 1 | In PDB GlyTouCan (G99801SM) | |||
| 7 | J (J) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 8 | CA, K, L, Q, R... (I, A, B, D) | GLYCEROL | non-polymer | 92.1 | 12 | Chemie (GOL) | |||
| 9 | BA, M, N, O, P... (I, B, D) | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 10 | AA (I) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 11 | DA, EA, FA, GA, HA (A, B, C, D, I) | water | water | 18.0 | 389 | Chemie (HOH) |
Sequence modifications
B, D: 16 - 247 (UniProt: P00734)
I: 1 - 432 (UniProt: P01008)
| PDB | External Database | Details |
|---|---|---|
| Ala 195 | Ser 568 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 137 | Ser 169 | engineered mutation |
| Cys 317 | Val 349 | engineered mutation |
| Cys 401 | Thr 433 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 5 |
| Total formula weight | 119901.9 | |
| Branched | Number of molecules | 5 |
| Total formula weight | 6809.3 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 1902.7 | |
| All* | Total formula weight | 128613.9 |
