MolNFT v1 · #166287 · protein
Crystal structure of 2541 Fab in complex with circumsporozoite protein NANP5
6ULE · 2541 antibody, heavy chain: “Crystal structure of 2541 Fab in complex with circumsporozoite protein NANP5”. X-ray diffraction, 10 pockets (best druggability 0.58). MolNFT v1 #166287 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6ULE
- Type
- protein
- Length
- 888 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2541 antibody, heavy chain; 2541 antibody, light chain; Circumsporozoite protein
- UniProt
- P02893
- Pockets
- 10 · best druggability 0.58
Structure
x-ray diffraction · 5 distinct chains · 6% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2541 antibody, heavy chain | protein | 223 | 7% helix, 51% strand | — |
| B | 2541 antibody, light chain | protein | 213 | 6% helix, 50% strand | — |
| C | 2541 antibody, heavy chain | protein | 224 | 7% helix, 51% strand | — |
| D | 2541 antibody, light chain | protein | 211 | 6% helix, 51% strand | — |
| I | Circumsporozoite protein | protein | 17 | 0% helix, 0% strand | P02893 |
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 413 | 0.58 | 0.75 | 45 | empty |
| 2 | 272 | 0.51 | 0.74 | 37 | empty |
| 3 | 178 | 0.48 | 0.76 | 35 | empty |
| 4 | 140 | 0.43 | 0.75 | 23 | empty |
| 5 | 173 | 0.42 | 0.73 | 24 | empty |
Interfaces
8 interfaces between chains.
- C–D · 1809 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1809 Ų buried · 16 hydrogen bonds · protein-protein
- A–I · 537 Ų buried · 7 hydrogen bonds · protein-protein
- C–I · 519 Ų buried · 9 hydrogen bonds · protein-protein
- B–I · 145 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6ULE · Crystal structure of 2541 Fab in complex with circumsporozoite protein NANP5 · the same entry in another collection · chain A against A, TM-score 1.00
- P02893 · AlphaFold monomer V2.0 prediction for circumsporozoite protein (P02893) · a predicted model of the same protein · chain I against A, TM-score 0.29
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 P02893
- Elsewhere: RCSB PDB 6ULE · PDBe 6ULE · UniProt P02893
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