4WVS
Crystal structure of XIAP-BIR2 domain complexed with (S)-3-(4-methoxyphenyl)-2-((S)-2-((S)-1-((S)-2-((S)-2-(methylamino)propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)propanoic acid
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | E3 ubiquitin-protein ligase XIAP | polymer | 98 | 11359.6 | 1 | UniProt (P98170) Pfam (PF00653) In PDB | Homo sapiens (Human) | Baculoviral IAP repeat-containing protein 4,IAP-like protein,hILP,Inhibitor of apoptosis protein 3,hIAP3,X-linked inhibitor of apoptosis protein,X-linked IAP |
2 | B | 3,11-DIFLUORO-6,8,13-TRIMETHYL-8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM | polymer | 5 | 675.8 | 1 | |||
3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | water | water | 18.0 | 33 | Chemie (HOH) |
Sequence modifications
A: 156 - 231 (UniProt: P98170)
PDB | External Database | Details |
---|---|---|
Met -22 | - | expression tag |
Gly -21 | - | expression tag |
Ser -20 | - | expression tag |
Ser -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
Ser -12 | - | expression tag |
Ser -11 | - | expression tag |
Gly -10 | - | expression tag |
Glu -9 | - | expression tag |
Thr -8 | - | expression tag |
Val -7 | - | expression tag |
Arg -6 | - | expression tag |
Phe -5 | - | expression tag |
Gln -4 | - | expression tag |
Gly -3 | - | expression tag |
His -2 | - | expression tag |
Met -1 | - | expression tag |
Ala 202 | Cys 202 | engineered mutation |
Gly 213 | Cys 213 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 12035.4 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 445.7 | |
All* | Total formula weight | 12481.1 |