3RUM
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 (A) | Maltose-binding periplasmic protein | polymer | 378 | 41342.8 | 1 | UniProt (P0AEX9) Pfam (PF01547) | Escherichia coli K-12 | MBP, MMBP, Maltodextrin-binding protein |
| 2 | B, C (B, C) | Ristocetin | polymer | 7 | 1182.1 | 2 | Amycolatopsis lurida | ||
| 3 | D, E (D, E) | alpha-D-arabinofuranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-6)]beta-D-glucopyranose | branched | 620.6 | 2 | In PDB GlyTouCan (G77120YG) | |||
| 4 | F (F) | alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | branched | 342.3 | 1 | In PDB BIRD (PRD_900001) GlyTouCan (G07411ON) | alpha-maltose | ||
| 5 | G, H, I (A) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 3 | Chemie (IPA) | |||
| 6 | J, K, L, Q (A, C) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 7 | M, O (B, C) | 3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose | non-polymer | 147.2 | 2 | Chemie (RST) | |||
| 8 | N, P (B, C) | alpha-D-mannopyranose | non-polymer | 180.2 | 2 | Chemie (MAN) | |||
| 9 | R, S, T (A, B, C) | water | water | 18.0 | 383 | Chemie (HOH) |
Sequence modifications
A: 2 - 367 (UniProt: P0AEX9)
| PDB | External Database | Details |
|---|---|---|
| Met 1 | - | initiating methionine |
| Asn 368 | - | SEE REMARK 999 |
| Ala 369 | - | SEE REMARK 999 |
| Ala 370 | - | SEE REMARK 999 |
| Ala 371 | - | SEE REMARK 999 |
| Ala 372 | - | SEE REMARK 999 |
| Ala 373 | - | SEE REMARK 999 |
| Gly 374 | - | SEE REMARK 999 |
| Ccs 375 | - | SEE REMARK 999 |
| Lys 376 | - | SEE REMARK 999 |
| Dal 377 | - | SEE REMARK 999 |
| Dal 378 | - | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 43707.1 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1583.4 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1219.2 | |
| All* | Total formula weight | 46509.7 |
