3RUN
New strategy to analyze structures of glycopeptide antibiotic-target complexes
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | LYSOZYME | polymer | 168 | 19018.8 | 1 | UniProt (P00720) Pfam (PF00959) In PDB | ENTEROBACTERIA PHAGE T4 | Endolysin, Lysis protein, Muramidase |
2 | B | VANCOMYCIN | polymer | 7 | 1150.0 | 1 | NOR (NOR00681) BIRD (PRD_000204) | Streptomyces orientalis | |
3 | C | vancosamine-(1-2)-beta-D-glucopyranose | branched | 323.3 | 1 | In PDB BIRD (PRD_000204) GlyTouCan (G14263HU) | |||
4 | A | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
5 | A, B | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 2 | Chemie (MRD) | |||
6 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
7 | A | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
8 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
9 | A | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 2 | Chemie (IPA) | |||
10 | water | water | 18.0 | 316 | Chemie (HOH) |
Sequence modifications
A: 1 - 164 (UniProt: P00720)
PDB | External Database | Details |
---|---|---|
Thr 54 | Cys 54 | engineered mutation |
Ala 97 | Cys 97 | engineered mutation |
Ala 164 | Leu 164 | engineered mutation |
Ccs 165 | - | SEE REMARK 999 |
Lys 166 | - | SEE REMARK 999 |
Dal 167 | - | SEE REMARK 999 |
Dal 168 | - | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 20168.8 | |
Branched | Number of molecules | 1 |
Total formula weight | 323.3 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 727.3 | |
All* | Total formula weight | 21219.4 |