MolNFT v1 · #143648 · protein
Structure of pfcsp peptide 29 with human antibody CIS42
6B5T · Pfcsp peptide 29: ala-asn-pro-asn-ala-asn-pro-asn-ala-asn…: “Structure of pfcsp peptide 29 with human antibody CIS42”. X-ray diffraction, 1 ligand (NH4), 4 pockets (best druggability 0.38). MolNFT v1 #143648 on GenesisL1: 3D…
- PDB
- 6B5T
- Type
- protein
- Length
- 437 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pfcsp peptide 29: ala-asn-pro-asn-ala-asn-pro-asn-ala-asn- pro-asn-ala; CIS42 Fab heavy…
- Ligands
- NH4
- Pockets
- 4 · best druggability 0.38
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pfcsp peptide 29: ala-asn-pro-asn-ala-asn-pro-asn-ala-asn- pro-asn-ala | protein | 13 | 0% helix, 0% strand | — |
| H | CIS42 Fab heavy chain | protein | 212 | 8% helix, 53% strand | — |
| L | CIS42 Fab light chain | protein | 212 | 8% helix, 50% strand | — |
Ligands and binding sites
- NH4 · Ammonium ion · ion · chains L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.38 | 0.73 | 36 | NH4 |
| 2 | 118 | 0.38 | 0.74 | 22 | empty |
| 3 | 82 | 0.31 | 0.73 | 17 | empty |
| 4 | 54 | 0.26 | 0.73 | 16 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1668 Ų buried · 12 hydrogen bonds · protein-protein
- A–H · 420 Ų buried · 11 hydrogen bonds · protein-protein
- A–L · 342 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 modified (disulfide, cyclization).
Compared structures
- 6B5T · Structure of PfCSP peptide 29 with human antibody CIS42 · 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 6B5T · PDBe 6B5T
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