MolNFT v1 · #182405 · protein
Brucella melitensis nrnc with engaged loop
7MPS · Nanornase C: “Brucella melitensis nrnc with engaged loop”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.69). MolNFT v1 #182405 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MPS
- Type
- protein
- Length
- 815 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nanornase C
- EC
- 3.1.13.5
- UniProt
- A0A2X1C2S7
- Ligands
- SO4
- Pockets
- 10 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nanornase C (EC 3.1.13.5) | protein | 204 | 41% helix, 17% strand | A0A2X1C2S7 |
| B | Nanornase C (EC 3.1.13.5) | protein | 205 | 40% helix, 16% strand | A0A2X1C2S7 |
| C, D | Nanornase C (EC 3.1.13.5) | protein | 203 | 41% helix, 16% strand | A0A2X1C2S7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, D
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.69 | 0.79 | 61 | empty |
| 2 | 408 | 0.62 | 0.77 | 41 | EPE |
| 3 | 320 | 0.59 | 0.77 | 43 | SO4, EPE |
| 4 | 326 | 0.57 | 0.76 | 50 | EPE, SO4 |
| 5 | 308 | 0.57 | 0.77 | 43 | SO4, EPE |
Interfaces
3 interfaces between chains.
- C–D · 1194 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 1185 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 531 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7MPS · Brucella melitensis NrnC with engaged loop · 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 A0A2X1C2S7
- Elsewhere: RCSB PDB 7MPS · PDBe 7MPS · UniProt A0A2X1C2S7
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