8PF8
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-M-72
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | 3-hydroxyacyl-CoA dehydrogenase | polymer | 736 | 78005.8 | 2 | UniProt (O53872) Pfam (PF00378) Pfam (PF02737) Pfam (PF00725) In PDB | Mycobacterium tuberculosis H37Rv | |
2 | C, D | Putative acyltransferase Rv0859 | polymer | 403 | 42460.4 | 2 | UniProt (O53871) Pfam (PF00108) Pfam (PF02803) In PDB | Mycobacterium tuberculosis H37Rv | |
3 | C, A, D, B | SULFATE ION | non-polymer | 96.1 | 23 | Chemie (SO4) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
5 | A | (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol | non-polymer | 400.1 | 1 | Chemie (YMK) | |||
6 | A, B | [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid | non-polymer | 268.0 | 4 | Chemie (YLZ) | |||
7 | C, A, D, B | [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid | non-polymer | 193.9 | 8 | Chemie (JXL) | |||
8 | B, A | bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide | non-polymer | 343.0 | 2 | Chemie (YLN) | |||
9 | water | water | 18.0 | 502 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 720 (UniProt: O53872)
PDB | External Database | Details |
---|---|---|
Met -15 | - | initiating methionine |
Gly -14 | - | expression tag |
Ser -13 | - | expression tag |
Ser -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
Ser -5 | - | expression tag |
Gln -4 | - | expression tag |
Asp -3 | - | expression tag |
Pro -2 | - | expression tag |
Asn -1 | - | expression tag |
Ser 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 240932.3 | |
Non-Polymers* | Number of molecules | 39 |
Total formula weight | 6011.0 | |
All* | Total formula weight | 246943.3 |