MolNFT v1 · #91525 · protein
Crystal structure of dipeptidyl peptidase IV (DPP4, dpp-IV, CD26) in complex with 11A19 Fab
4FFV · Dipeptidyl peptidase 4: “Crystal structure of dipeptidyl peptidase IV (DPP4, dpp-IV, CD26) in complex with 11A19 Fab”. X-ray diffraction, 20 pockets (best druggability 0.70). MolNFT v1 #91525 on GenesisL1: 3D structure, binding…
- PDB
- 4FFV
- Type
- protein
- Length
- 2,288 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dipeptidyl peptidase 4; 11A19 Fab light chain; 11A19 Fab heavy chain
- EC
- 3.4.14.5
- UniProt
- P14740
- Pockets
- 20 · best druggability 0.70
Structure
x-ray diffraction · 5 distinct chains · 14% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dipeptidyl peptidase 4 (EC 3.4.14.5) | protein | 727 | 18% helix, 37% strand | P14740 |
| B | Dipeptidyl peptidase 4 (EC 3.4.14.5) | protein | 729 | 18% helix, 37% strand | P14740 |
| C, L | 11A19 Fab light chain | protein | 207 | 4% helix, 49% strand | — |
| D | 11A19 Fab heavy chain | protein | 209 | 6% helix, 46% strand | — |
| H | 11A19 Fab heavy chain | protein | 209 | 4% helix, 47% strand | — |
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 853 | 0.70 | 0.76 | 74 | empty |
| 2 | 826 | 0.69 | 0.75 | 79 | empty |
| 3 | 499 | 0.66 | 0.77 | 65 | empty |
| 4 | 703 | 0.65 | 0.74 | 74 | empty |
| 5 | 424 | 0.63 | 0.77 | 63 | empty |
Interfaces
9 interfaces between chains.
- A–B · 2277 Ų buried · 39 hydrogen bonds · protein-protein
- L–H · 1765 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1746 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 675 Ų buried · 8 hydrogen bonds · protein-protein
- A–H · 647 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 4FFV · Crystal Structure of Dipeptidyl Peptidase IV (DPP4, DPP-IV, CD26) in Complex with 11A19… · the same entry in another collection · chain H against H, TM-score 1.00
- P14740 · AlphaFold monomer V2.0 prediction for dipeptidyl peptidase 4 (P14740) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P14740
- Elsewhere: RCSB PDB 4FFV · PDBe 4FFV · UniProt P14740
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