2I3I
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Baculoviral IAP repeat-containing protein 7 | polymer | 133 | 14977.6 | 2 | UniProt (Q96CA5) Pfam (PF00653) In PDB | Homo sapiens (human) | Kidney inhibitor of apoptosis protein, KIAP, Melanoma inhibitor of apoptosis protein, ML-IAP, Livin |
| 2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | A, B | (3R,6R,9AR)-2,2-DIMETHYL-6-[(N-METHYL-L-ALANYL)AMINO]-N-(3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-5-OXO-2,3,5,6,9,9A-HEXAHYDRO[1,3]THIAZOLO[3,2-A]AZEPINE-3-CARBOXAMIDE | non-polymer | 496.6 | 2 | Chemie (618) | |||
| 4 | B | LITHIUM ION | non-polymer | 6.9 | 1 | Chemie (LI) | |||
| 5 | B | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 1 | Chemie (BTB) | |||
| 6 | B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 7 | water | water | 18.0 | 135 | Chemie (HOH) |
Sequence modifications
A, B: 63 - 172 (UniProt: Q96CA5)
| PDB | External Database | Details |
|---|---|---|
| Met 40 | - | initiating methionine |
| Gly 41 | - | expression tag |
| Ser 42 | - | expression tag |
| Ser 43 | - | expression tag |
| His 44 | - | expression tag |
| His 45 | - | expression tag |
| His 46 | - | expression tag |
| His 47 | - | expression tag |
| His 48 | - | expression tag |
| His 49 | - | expression tag |
| Ser 50 | - | expression tag |
| Ser 51 | - | expression tag |
| Gly 52 | - | expression tag |
| Glu 53 | - | expression tag |
| Val 54 | - | expression tag |
| Pro 55 | - | expression tag |
| Arg 56 | - | expression tag |
| Gly 57 | - | expression tag |
| Ser 58 | - | expression tag |
| His 59 | - | expression tag |
| Met 60 | - | expression tag |
| Leu 61 | - | expression tag |
| Glu 62 | - | expression tag |
| Gly 150 | Ser 150 | SEE REMARK 999 |
| Gln 160 | Arg 160 | SEE REMARK 999 |
| Glu 161 | Asp 161 | SEE REMARK 999 |
| Tyr 162 | Phe 162 | SEE REMARK 999 |
| Ile 163 | Val 163 | SEE REMARK 999 |
| Asn 164 | His 164 | SEE REMARK 999 |
| Asn 165 | Ser 165 | SEE REMARK 999 |
| Ile 166 | Val 166 | SEE REMARK 999 |
| His 167 | Gln 167 | SEE REMARK 999 |
| Leu 168 | Glu 168 | SEE REMARK 999 |
| Leu 172 | Gln 172 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 29955.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1464.4 | |
| All* | Total formula weight | 31419.5 |
