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Structure of NB113 bound to apodhfr
Analyse Structure of NB113 bound to apodhfr in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4EIZ
- Type
- protein
- Length
- 572 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dihydrofolate reductase; NB113 camel antibody fragment
- EC
- 1.5.1.3
- UniProt
- P0ABQ4
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dihydrofolate reductase (EC 1.5.1.3) | protein | 159 | 25% helix, 30% strand | P0ABQ4 |
| C, D | NB113 camel antibody fragment | protein | 127 | 12% helix, 52% strand | — |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 357 | 0.68 | 0.81 | 37 | empty |
| 2 | 368 | 0.68 | 0.81 | 47 | empty |
| 3 | 762 | 0.64 | 0.73 | 68 | empty |
| 4 | 125 | 0.46 | 0.78 | 19 | empty |
| 5 | 107 | 0.41 | 0.77 | 21 | empty |
Interfaces
4 interfaces between chains.
- B–C · 585 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 547 Ų buried · 11 hydrogen bonds · protein-protein
- B–D · 390 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 383 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 P0ABQ4
- Elsewhere: RCSB PDB 4EIZ · PDBe 4EIZ · UniProt P0ABQ4
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