MolNFT v1 · #187870 · protein
Crystal structure of probable GTP-binding protein engb bound to GDP from klebsiella pneumoniae subsp. pneumoniae
7SZS: “Crystal structure of probable GTP-binding protein engb bound to GDP from klebsiella pneumoniae subsp.…”. X-ray diffraction, 1 ligand (GDP), 6 pockets (best druggability 0.53). MolNFT v1 #187870 on GenesisL1: 3D structure, binding…
- PDB
- 7SZS
- Type
- protein
- Length
- 406 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable GTP-binding protein engb
- UniProt
- A0A0H3GG62
- Ligands
- GDP
- Pockets
- 6 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable GTP-binding protein engb | protein | 204 | 37% helix, 25% strand | A0A0H3GG62 |
| B | Probable GTP-binding protein engb | protein | 202 | 37% helix, 25% strand | A0A0H3GG62 |
Ligands and binding sites
- GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
- BU1 · 1,4-butanediol · additive · chains A, B
- PGR · R-1,2-propanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.53 | 0.84 | 22 | BU1 |
| 2 | 70 | 0.40 | 0.80 | 16 | GOL |
| 3 | 120 | 0.39 | 0.75 | 22 | empty |
| 4 | 99 | 0.37 | 0.75 | 22 | empty |
| 5 | 68 | 0.31 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1184 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 7SZS · Crystal Structure of Probable GTP-binding protein EngB bound to GDP from Klebsiella… · 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 A0A0H3GG62
- Elsewhere: RCSB PDB 7SZS · PDBe 7SZS · UniProt A0A0H3GG62
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