MolNFT v1 · #107037 · protein
Crystal structure of the mixed disulfide intermediate between thioredoxin-like TLPAS(C110S) and subunit II of cytochrome C oxidase coxbpd (C233S)
4TXV · THIOL:DISULFIDE interchange protein tlpa: “Crystal structure of the mixed disulfide intermediate between thioredoxin-like TLPAS(C110S) and subunit II of…”. X-ray diffraction, 3 pockets (best druggability 0.79). MolNFT v1 #107037 on…
- PDB
- 4TXV
- Type
- protein
- Length
- 628 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein tlpa; Cytochrome C oxidase subunit 2
- EC
- 1.9.3.1
- UniProt
- P43221, H7C6E5
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 26% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein tlpa | protein | 175 | 36% helix, 22% strand | P43221 |
| B | Cytochrome C oxidase subunit 2 (EC 1.9.3.1) | protein | 142 | 12% helix, 40% strand | H7C6E5 |
| C | THIOL:DISULFIDE interchange protein tlpa | protein | 178 | 37% helix, 22% strand | P43221 |
| D | Cytochrome C oxidase subunit 2 (EC 1.9.3.1) | protein | 133 | 13% helix, 44% strand | H7C6E5 |
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1139 | 0.79 | 0.80 | 114 | empty |
| 2 | 319 | 0.59 | 0.77 | 39 | empty |
| 3 | 66 | 0.32 | 0.76 | 17 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1040 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1008 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 705 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 394 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 23 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4TXV · Crystal structure of the mixed disulfide intermediate between thioredoxin-like… · the same entry in another collection · chain A against A, TM-score 1.00
- P43221 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein tlpa (P43221) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P43221
- Every structure of UniProt H7C6E5
- Elsewhere: RCSB PDB 4TXV · PDBe 4TXV · UniProt P43221 · UniProt H7C6E5
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