Research workbench
Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10
Analyse Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W7S
- Type
- protein
- Length
- 897 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eryai; 2G10 (Fab heavy chain); 2G10 (Fab light chain)
- UniProt
- Q5UNP6
- Ligands
- CL
- Pockets
- 13 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 24% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eryai | protein | 463 | 40% helix, 21% strand | Q5UNP6 |
| H | 2G10 (Fab heavy chain) | protein | 218 | 7% helix, 50% strand | — |
| L | 2G10 (Fab light chain) | protein | 216 | 8% helix, 52% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 599 | 0.71 | 0.79 | 70 | empty |
| 2 | 599 | 0.70 | 0.79 | 53 | MES |
| 3 | 498 | 0.59 | 0.74 | 55 | empty |
| 4 | 74 | 0.56 | 0.87 | 19 | empty |
| 5 | 201 | 0.52 | 0.77 | 29 | empty |
Interfaces
2 interfaces between chains.
- H–L · 1571 Ų buried · 16 hydrogen bonds · protein-protein
- A–H · 312 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6W7S · Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q5UNP6
- Elsewhere: RCSB PDB 6W7S · PDBe 6W7S · UniProt Q5UNP6
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