1TB6
2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | L | thrombin | polymer | 49 | 5641.2 | 1 | UniProt (P00734) Pfam (PF09396) In PDB | Homo sapiens (human) | Coagulation factor II |
| 2 | H | thrombin | polymer | 259 | 29764.2 | 1 | UniProt (P00734) Pfam (PF00089) In PDB | Homo sapiens (human) | Coagulation factor II |
| 3 | I | Antithrombin-III | polymer | 432 | 49091.1 | 1 | UniProt (P01008) Pfam (PF00079) In PDB | Homo sapiens (human) | ATIII, PRO0309 |
| 4 | A | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 570.5 | 1 | In PDB GlyTouCan (G21290RB) | |||
| 5 | B | 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 | C | 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) | |||
| 7 | D | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 8 | H, I | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 8 | Chemie (MPD) | |||
| 9 | I | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 10 | water | water | 18.0 | 146 | Chemie (HOH) |
Sequence modifications
I: 1 - 432 (UniProt: P01008)
H: 16 - 247 (UniProt: P00734)
| PDB | External Database | Details |
|---|---|---|
| Ala 137 | Ser 169 | engineered mutation |
| Cys 317 | Val 349 | engineered mutation |
| Cys 401 | Thr 433 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 195 | Ser 568 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 84496.5 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 6499.0 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1166.6 | |
| All* | Total formula weight | 92162.1 |
