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Crystal structure of mure from E.COLI in complex with Z275151340
Analyse Crystal structure of mure from E.COLI in complex with Z275151340 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7B9E
- Type
- protein
- Length
- 956 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6- diaminopimelate ligase
- EC
- 6.3.2.13
- UniProt
- P22188
- Ligands
- JHP
- Pockets
- 16 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6- diaminopimelate ligase (EC 6.3.2.13) | protein | 480 | 36% helix, 24% strand | P22188 |
| B | Udp-N-acetylmuramoyl-L-alanyl-D-glutamate-2,6- diaminopimelate ligase (EC 6.3.2.13) | protein | 476 | 36% helix, 24% strand | P22188 |
Ligands and binding sites
- JHP · 4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide · ligand · 2 copies · chains A, B
- IPA · Isopropyl alcohol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 217 | 0.80 | 0.93 | 33 | JHP |
| 2 | 201 | 0.77 | 0.91 | 29 | JHP, IPA |
| 3 | 875 | 0.71 | 0.76 | 65 | empty |
| 4 | 364 | 0.67 | 0.81 | 37 | empty |
| 5 | 377 | 0.66 | 0.80 | 38 | empty |
Interfaces
1 interface between chains.
- A–B · 413 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
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 P22188
- Elsewhere: RCSB PDB 7B9E · PDBe 7B9E · UniProt P22188
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