MolNFT v1 · #112402 · protein
Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31
4ZK7 · Chorismate mutase: “Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31”. X-ray diffraction, 20 pockets (best druggability 0.76). MolNFT v1 #112402 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4ZK7
- Type
- protein
- Length
- 2,646 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chorismate mutase; Divalent-cation tolerance protein cuta
- UniProt
- Q5SJY4, Q7SIA8
- Pockets
- 20 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L | Chorismate mutase | protein | 117 | 32% helix, 28% strand | Q5SJY4 |
| M, N, O, P, R, S, T, U, V, W, X | Divalent-cation tolerance protein cuta | protein | 103 | 32% helix, 41% strand | Q7SIA8 |
| Q | Divalent-cation tolerance protein cuta | protein | 109 | 31% helix, 39% strand | Q7SIA8 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.76 | 0.97 | 21 | empty |
| 2 | 68 | 0.75 | 0.97 | 19 | empty |
| 3 | 62 | 0.74 | 0.98 | 18 | empty |
| 4 | 63 | 0.74 | 0.97 | 21 | empty |
| 5 | 1021 | 0.73 | 0.77 | 110 | empty |
Interfaces
53 interfaces between chains.
- Q–R · 1190 Ų buried · 21 hydrogen bonds · protein-protein
- S–T · 1179 Ų buried · 22 hydrogen bonds · protein-protein
- W–X · 1178 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 1178 Ų buried · 23 hydrogen bonds · protein-protein
- J–L · 1176 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 4ZK7 · Crystal structure of rescued two-component self-assembling tetrahedral cage T33-31 · the same entry in another collection · chain J against J, 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 Q5SJY4
- Every structure of UniProt Q7SIA8
- Elsewhere: RCSB PDB 4ZK7 · PDBe 4ZK7 · UniProt Q5SJY4 · UniProt Q7SIA8
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