MolNFT v1 · #107282 · protein
Crystal structure of D106A mutant of rhcc (YP_702633.1) from rhodococcus jostii RHA1 at 1.55 ångström
4U5R: “Crystal structure of D106A mutant of rhcc (YP_702633.1) from rhodococcus jostii RHA1 at 1.55 ångström”. X-ray diffraction, 8 pockets (best druggability 0.62). MolNFT v1 #107282 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4U5R
- Type
- protein
- Length
- 454 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rhcc
- UniProt
- Q0SDB1
- Pockets
- 8 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Rhcc | protein | 151 | 38% helix, 26% strand | Q0SDB1 |
| B | Rhcc | protein | 152 | 38% helix, 26% strand | Q0SDB1 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 296 | 0.62 | 0.79 | 33 | empty |
| 2 | 121 | 0.57 | 0.83 | 16 | empty |
| 3 | 122 | 0.57 | 0.83 | 16 | empty |
| 4 | 98 | 0.53 | 0.83 | 16 | empty |
| 5 | 58 | 0.38 | 0.80 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1276 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1260 Ų buried · 23 hydrogen bonds · protein-protein
- A–C · 1258 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4U5R · Crystal structure of D106A mutant of RhCC (YP_702633.1) from Rhodococcus jostii RHA1 at… · 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
- Every structure of UniProt Q0SDB1
- Elsewhere: RCSB PDB 4U5R · PDBe 4U5R · UniProt Q0SDB1
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