6ESM
Crystal structure of MMP9 in complex with inhibitor BE4.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Matrix metalloproteinase-9,Matrix metalloproteinase-9 | polymer | 160 | 17903.9 | 1 | UniProt (P14780) Pfam (PF00413) | Homo sapiens (Human) | MMP-9,92 kDa gelatinase,92 kDa type IV collagenase,Gelatinase B,GELB,MMP-9,92 kDa gelatinase,92 kDa type IV collagenase,Gelatinase B,GELB |
| 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) | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid | non-polymer | 422.5 | 1 | Chemie (B9Z) | |||
| 5 | H (A) | piperazine | non-polymer | 86.1 | 1 | Chemie (PZE) | |||
| 6 | I (A) | water | water | 18.0 | 261 | Chemie (HOH) |
Sequence modifications
A: 110 - 216 (UniProt: P14780)
A: 217 - 269 (UniProt: P14780)
A: 217 - 269 (UniProt: P14780)
| PDB | External Database | Details |
|---|---|---|
| Gln 227 | Glu 402 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 17903.9 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 759.7 | |
| All* | Total formula weight | 18663.6 |
