Research workbench
Crystal structure of unliganded form of oligomeric E.COLI guanylate kinase
Analyse Crystal structure of unliganded form of oligomeric E.COLI guanylate kinase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ANC
- Type
- protein
- Length
- 1,175 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Guanylate kinase
- EC
- 2.7.4.8
- UniProt
- P60546
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Guanylate kinase (EC 2.7.4.8) | protein | 205 | 46% helix, 20% strand | P60546 |
| B, E | Guanylate kinase (EC 2.7.4.8) | protein | 204 | 47% helix, 21% strand | P60546 |
| D | Guanylate kinase (EC 2.7.4.8) | protein | 204 | 44% helix, 21% strand | P60546 |
| F | Guanylate kinase (EC 2.7.4.8) | protein | 153 | 55% helix, 14% strand | P60546 |
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 938 | 0.87 | 0.88 | 97 | empty |
| 2 | 1015 | 0.86 | 0.87 | 89 | empty |
| 3 | 998 | 0.86 | 0.87 | 95 | empty |
| 4 | 250 | 0.54 | 0.76 | 38 | empty |
| 5 | 216 | 0.52 | 0.77 | 37 | empty |
Interfaces
15 interfaces between chains.
- C–D · 1664 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1659 Ų buried · 11 hydrogen bonds · protein-protein
- E–F · 1651 Ų buried · 12 hydrogen bonds · protein-protein
- C–E · 680 Ų buried · 9 hydrogen bonds · protein-protein
- D–F · 654 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2ANC · Crystal Structure Of Unliganded Form Of Oligomeric E.coli Guanylate Kinase · the same entry in another collection · chain F against F, TM-score 1.00
- P60546 · AlphaFold monomer V2.0 prediction for guanylate kinase (P60546) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 P60546
- Elsewhere: RCSB PDB 2ANC · PDBe 2ANC · UniProt P60546
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