MolNFT v1 · #183265 · protein
X-ray crystallography study of ROAB13 which binds to piydin, a part of the CCR5 N terminal domain
7NJZ · Antibody ROAB13 heavy chain: “X-ray crystallography study of ROAB13 which binds to piydin, a part of the CCR5 N terminal domain”. X-ray diffraction, 6 pockets (best druggability 0.60). MolNFT v1 #183265 on GenesisL1: 3D structure…
- PDB
- 7NJZ
- Type
- protein
- Length
- 438 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody ROAB13 heavy chain; Antibody ROAB13 light chain; Region from C-C chemokine…
- UniProt
- P51681
- Pockets
- 6 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 4% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Antibody ROAB13 heavy chain | protein | 218 | 4% helix, 48% strand | — |
| L | Antibody ROAB13 light chain | protein | 214 | 5% helix, 41% strand | — |
| C | Region from C-C chemokine receptor type 5 N-terminal domain | protein | 6 | 0% helix, 0% strand | P51681 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.60 | 0.75 | 50 | empty |
| 2 | 136 | 0.51 | 0.80 | 19 | empty |
| 3 | 94 | 0.37 | 0.76 | 19 | empty |
| 4 | 78 | 0.33 | 0.75 | 14 | empty |
| 5 | 55 | 0.32 | 0.77 | 20 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1848 Ų buried · 24 hydrogen bonds · protein-protein
- L–C · 308 Ų buried · 2 hydrogen bonds · protein-protein
- H–C · 76 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7NJZ · X-ray crystallography study of RoAb13 which binds to PIYDIN, a part of the CCR5 N… · the same entry in another collection · chain H against H, TM-score 1.00
- P51681 · AlphaFold monomer V2.0 prediction for C-C chemokine receptor type 5 (P51681) · a predicted model of the same protein · chain C against A, TM-score 0.48
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 P51681
- Elsewhere: RCSB PDB 7NJZ · PDBe 7NJZ · UniProt P51681
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