MolNFT v1 · #152710 · protein
Crystal structure of cell surface glyceraldehyde-3-phosphate dehydrogenase complexed with HG2+ from lactobacillus plantarum
6IQV · Glyceraldehyde-3-phosphate dehydrogenase, type I: “Crystal structure of cell surface glyceraldehyde-3-phosphate dehydrogenase complexed with HG2+ from…”. X-ray diffraction, 1 ligand (HG), 12 pockets (best druggability 0.79). MolNFT…
- PDB
- 6IQV
- Type
- protein
- Length
- 1,335 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glyceraldehyde-3-phosphate dehydrogenase, type I
- EC
- 1.2.1.12
- UniProt
- D7VA33
- Ligands
- HG
- Pockets
- 12 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glyceraldehyde-3-phosphate dehydrogenase, type I (EC 1.2.1.12) | protein | 340 | 29% helix, 27% strand | D7VA33 |
| B | Glyceraldehyde-3-phosphate dehydrogenase, type I (EC 1.2.1.12) | protein | 336 | 30% helix, 27% strand | D7VA33 |
| C | Glyceraldehyde-3-phosphate dehydrogenase, type I (EC 1.2.1.12) | protein | 326 | 28% helix, 26% strand | D7VA33 |
| D | Glyceraldehyde-3-phosphate dehydrogenase, type I (EC 1.2.1.12) | protein | 333 | 27% helix, 26% strand | D7VA33 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 11 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, C, D, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1079 | 0.79 | 0.80 | 113 | TRS |
| 2 | 935 | 0.75 | 0.79 | 121 | HG |
| 3 | 1006 | 0.75 | 0.78 | 119 | HG |
| 4 | 114 | 0.47 | 0.78 | 19 | empty |
| 5 | 99 | 0.42 | 0.78 | 21 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2079 Ų buried · 50 hydrogen bonds · protein-protein
- A–B · 2078 Ų buried · 50 hydrogen bonds · protein-protein
- B–D · 1374 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1360 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 438 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6IQV · Crystal Structure of Cell Surface Glyceraldehyde-3-Phosphate Dehydrogenase Complexed with… · 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 D7VA33
- Elsewhere: RCSB PDB 6IQV · PDBe 6IQV · UniProt D7VA33
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