4I03
Human MMP12 in complex with a PEG-linked bifunctional L-glutamate motif inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Macrophage metalloelastase | polymer | 159 | 17557.6 | 1 | UniProt (P39900) Pfam (PF00413) | Homo sapiens (human) | MME, Macrophage elastase, ME, hME, Matrix metalloproteinase-12, MMP-12 |
| 2 | B, C (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, E, F (A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 4 | G (A) | (4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid | non-polymer | 1059.3 | 1 | Chemie (L88) | |||
| 5 | H, I, J (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 6 | K, L (A) | S-1,2-PROPANEDIOL | non-polymer | 76.1 | 2 | Chemie (PGO) | |||
| 7 | M, N (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 8 | O, P, Q, R (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 9 | S (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 10 | T (A) | water | water | 18.0 | 171 | Chemie (HOH) |
Sequence modifications
A: 106 - 263 (UniProt: P39900)
| PDB | External Database | Details |
|---|---|---|
| Met 105 | - | initiating methionine |
| Asp 171 | Phe 171 | engineered mutation |
| Ala 219 | Glu 219 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17557.6 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2249.5 | |
| All* | Total formula weight | 19807.1 |
