MolNFT v1 · #157162 · protein
Vaccine-elicited nhp fp-targeting neutralizing antibody 0PV-C.01 in complex with fp (residue 512-519)
6MQC · 0PV-C.01 antibody Fab heavy chain: “Vaccine-elicited nhp fp-targeting neutralizing antibody 0PV-C.01 in complex with fp (residue 512-519)”. X-ray diffraction, 9 pockets (best druggability 0.77). MolNFT v1 #157162 on GenesisL1: 3D…
- PDB
- 6MQC
- Type
- protein
- Length
- 891 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 0PV-C.01 antibody Fab heavy chain; 0PV-C.01 antibody Fab light chain; HIV fusion peptide…
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 0PV-C.01 antibody Fab heavy chain | protein | 222 | 6% helix, 53% strand | — |
| B, L | 0PV-C.01 antibody Fab light chain | protein | 217 | 6% helix, 51% strand | — |
| H | 0PV-C.01 antibody Fab heavy chain | protein | 219 | 7% helix, 54% strand | — |
| C, D | HIV fusion peptide residue 512-519 | protein | 8 | 0% helix, 38% strand | — |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 703 | 0.77 | 0.82 | 107 | empty |
| 2 | 200 | 0.58 | 0.81 | 25 | empty |
| 3 | 182 | 0.56 | 0.80 | 24 | empty |
| 4 | 76 | 0.43 | 0.80 | 23 | empty |
| 5 | 78 | 0.41 | 0.80 | 20 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1839 Ų buried · 21 hydrogen bonds · protein-protein
- H–L · 1780 Ų buried · 21 hydrogen bonds · protein-protein
- B–L · 1149 Ų buried · 8 hydrogen bonds · protein-protein
- H–C · 534 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 522 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6MQC · Vaccine-elicited NHP FP-targeting neutralizing antibody 0PV-c.01 in complex with FP… · 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
- Elsewhere: RCSB PDB 6MQC · PDBe 6MQC
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