Research workbench
NMR structure of the iiachitobiose-iibchitobiose complex of the N,N'- diacetylchitoboise brance of the E. COLI phosphotransferase system.
Analyse NMR structure of the iiachitobiose-iibchitobiose complex of the N,N'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WWV
- Type
- protein
- Length
- 412 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N\,N'-diacetylchitobiose-specific phosphotransferase enzyme iia component…
- EC
- 2.7.1.-, 2.7.1.69
- UniProt
- P69791, P69795
- Pockets
- 4 · best druggability 0.81
Structure
solution nmr · 2 distinct chains · 70% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | N\,N'-diacetylchitobiose-specific phosphotransferase enzyme iia component (EC 2.7.1.-) | protein | 103 | 83% helix, 0% strand | P69791 |
| D | N\,N'-diacetylchitobiose-specific phosphotransferase enzyme iib component (EC 2.7.1.69) | protein | 103 | 57% helix, 18% strand | P69795 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1092 | 0.81 | 0.82 | 120 | empty |
| 2 | 80 | 0.38 | 0.78 | 18 | empty |
| 3 | 76 | 0.31 | 0.74 | 13 | empty |
| 4 | 58 | 0.27 | 0.73 | 10 | empty |
Interfaces
5 interfaces between chains.
- A–B · 892 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 891 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 888 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 496 Ų buried · 3 hydrogen bonds · protein-protein
- C–D · 468 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2WWV · NMR structure of the IIAchitobiose-IIBchitobiose complex of the N,N'- diacetylchitoboise… · the same entry in another collection · chain C against C, TM-score 1.00
- P69795 · AlphaFold monomer V2.0 prediction for pts system N,N'-diacetylchitobiose-specific eiib… · a predicted model of the same protein · chain D against A, TM-score 0.99
- P69791 · AlphaFold monomer V2.0 prediction for pts system N,N'-diacetylchitobiose-specific eiia… · a predicted model of the same protein · chain A against A, TM-score 0.87
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P69791
- Every structure of UniProt P69795
- Elsewhere: RCSB PDB 2WWV · PDBe 2WWV · UniProt P69791 · UniProt P69795
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