MolNFT v1 · #169233 · protein
Mper-fluc-EC2 bound to 10E8V4 antibody
6X58 · 10E8V4 Fab heavy chain: “Mper-fluc-EC2 bound to 10E8V4 antibody”. X-ray diffraction, 11 pockets (best druggability 0.62). MolNFT v1 #169233 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6X58
- Type
- protein
- Length
- 1,153 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 10E8V4 Fab heavy chain; 10E8V4 Fab light chain; GP41 mper PEPTIDE,PUTATIVE fluoride ion…
- UniProt
- Q73372, Q6J5N4
- Pockets
- 11 · best druggability 0.62
Structure
x-ray diffraction · 6 distinct chains · 24% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 10E8V4 Fab heavy chain | protein | 233 | 5% helix, 48% strand | — |
| D | 10E8V4 Fab light chain | protein | 211 | 8% helix, 49% strand | — |
| E | GP41 mper PEPTIDE,PUTATIVE fluoride ion transporter crcb | protein | 134 | 82% helix, 0% strand | Q73372, Q6J5N4 |
| F | GP41 mper PEPTIDE,PUTATIVE fluoride ion transporter crcb | protein | 135 | 81% helix, 0% strand | Q73372, Q6J5N4 |
| A | 10E8V4 Fab heavy chain | protein | 231 | 4% helix, 49% strand | — |
| B | 10E8V4 Fab light chain | protein | 209 | 8% helix, 50% strand | — |
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.62 | 0.75 | 51 | empty |
| 2 | 136 | 0.51 | 0.80 | 27 | empty |
| 3 | 140 | 0.50 | 0.79 | 27 | empty |
| 4 | 242 | 0.49 | 0.74 | 41 | empty |
| 5 | 176 | 0.48 | 0.76 | 21 | empty |
Interfaces
7 interfaces between chains.
- C–D · 2191 Ų buried · 21 hydrogen bonds · protein-protein
- A–B · 2105 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1710 Ų buried · 15 hydrogen bonds · protein-protein
- C–F · 670 Ų buried · 3 hydrogen bonds · protein-protein
- E–A · 665 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6X58 · MPER-Fluc-Ec2 bound to 10E8v4 antibody · the same entry in another collection · chain C against C, 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 Q73372
- Every structure of UniProt Q6J5N4
- Elsewhere: RCSB PDB 6X58 · PDBe 6X58 · UniProt Q73372 · UniProt Q6J5N4
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