5HTC
Crystal structure of haspin (GSG2) in complex with bisubstrate inhibitor ARC-3372
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Serine/threonine-protein kinase haspin | polymer | 357 | 40711.5 | 1 | UniProt (Q8TF76) Pfam (PF12330) In PDB | Homo sapiens (Human) | Germ cell-specific gene 2 protein,H-haspin,Haploid germ cell-specific nuclear protein kinase |
2 | C | ARC-3372 INHIBITOR | polymer | 7 | 804.0 | 1 | SYNTHETIC CONSTRUCT | ||
3 | A | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
4 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
5 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
6 | C | (2R)-2-{[6-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]carbonyl}amino)hexanoyl]amino}butanedioic acid (non-preferred name) | non-polymer | 509.5 | 1 | Chemie (66M) | |||
7 | water | water | 18.0 | 404 | Chemie (HOH) |
Sequence modifications
A: 465 - 798 (UniProt: Q8TF76)
PDB | External Database | Details |
---|---|---|
Met 442 | - | initiating methionine |
His 443 | - | expression tag |
His 444 | - | expression tag |
His 445 | - | expression tag |
His 446 | - | expression tag |
His 447 | - | expression tag |
His 448 | - | expression tag |
Ser 449 | - | expression tag |
Ser 450 | - | expression tag |
Gly 451 | - | expression tag |
Val 452 | - | expression tag |
Asp 453 | - | expression tag |
Leu 454 | - | expression tag |
Gly 455 | - | expression tag |
Thr 456 | - | expression tag |
Glu 457 | - | expression tag |
Asn 458 | - | expression tag |
Leu 459 | - | expression tag |
Tyr 460 | - | expression tag |
Phe 461 | - | expression tag |
Gln 462 | - | expression tag |
Ser 463 | - | expression tag |
Met 464 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 41515.5 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 846.9 | |
All* | Total formula weight | 42362.4 |