3KCG
Crystal structure of the antithrombin-factor IXa-pentasaccharide complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (L) | Coagulation factor IXa light chain | polymer | 59 | 6470.4 | 1 | UniProt (P00740) Pfam (PF14670) | Homo sapiens (human) | factor IX, Christmas factor, Plasma thromboplastin component, PTC |
| 2 | B (H) | Coagulation factor IXa heavy chain | polymer | 235 | 26174.8 | 1 | UniProt (P00740) Pfam (PF00089) | Homo sapiens (human) | factor IX, Christmas factor, Plasma thromboplastin component, PTC |
| 3 | C (I) | Antithrombin-III | polymer | 432 | 49085.0 | 1 | UniProt (P01008) Pfam (PF00079) | Homo sapiens (human) | ATIII |
| 4 | D, F (A, C) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 2 | In PDB GlyTouCan (G86851RC) | |||
| 5 | E (B) | alpha-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 (G62182OO) | |||
| 6 | G (D) | 3,4-di-O-methyl-2,6-di-O-sulfo-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)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside | branched | 1661.4 | 1 | In PDB BIRD (PRD_900031) GlyTouCan (G76630SM) | heparin pentasaccharide | ||
| 7 | H (H) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 8 | I, J (I) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
| 9 | K, L, M (L, H, I) | water | water | 18.0 | 667 | Chemie (HOH) |
Sequence modifications
L: 85 - 142 (UniProt: P00740)
H: 16 - 245 (UniProt: P00740)
I: 1 - 432 (UniProt: P01008)
| PDB | External Database | Details |
|---|---|---|
| Met 84 | - | initiating methionine |
| PDB | External Database | Details |
|---|---|---|
| Ala 195 | Ser 411 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 137 | Ser 169 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 81730.2 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2982.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 276.4 | |
| All* | Total formula weight | 84989.3 |
