MolNFT v1 · #166134 · protein
Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered orthorhombic crystal form, lot a
6UGS · Infliximab (remicade) Fab heavy chain: “Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered…”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #166134 on GenesisL1: 3D…
- PDB
- 6UGS
- Type
- protein
- Length
- 864 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Infliximab (remicade) Fab heavy chain; Infliximab (remicade) Fab light chain
- UniProt
- A8K008, Q6P5S8
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, A | Infliximab (remicade) Fab heavy chain | protein | 218 | 11% helix, 52% strand | A8K008 |
| L, B | Infliximab (remicade) Fab light chain | protein | 214 | 5% helix, 51% strand | Q6P5S8 |
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 492 | 0.71 | 0.81 | 58 | empty |
| 2 | 307 | 0.61 | 0.79 | 45 | empty |
| 3 | 304 | 0.59 | 0.78 | 51 | empty |
| 4 | 312 | 0.58 | 0.77 | 42 | empty |
| 5 | 186 | 0.51 | 0.77 | 26 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1709 Ų buried · 12 hydrogen bonds · protein-protein
- H–L · 1648 Ų buried · 13 hydrogen bonds · protein-protein
- L–B · 1131 Ų buried · 9 hydrogen bonds · protein-protein
- L–A · 11 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6UGS · Crystal structure of the Fab fragment of PF06438179/GP1111 an infliximab biosimilar in a… · the same entry in another collection · chain H against H, 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 A8K008
- Every structure of UniProt Q6P5S8
- Elsewhere: RCSB PDB 6UGS · PDBe 6UGS · UniProt A8K008 · UniProt Q6P5S8
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