MolNFT v1 · #175785 · protein
Crystal structure of acinetobacter baumannii murg
7D1I · Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide)…: “Crystal structure of acinetobacter baumannii murg”. X-ray diffraction, 9 pockets (best druggability 0.81). MolNFT v1 #175785 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7D1I
- Type
- protein
- Length
- 1,022 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol…
- EC
- 2.4.1.227
- UniProt
- A0A1E3MA13
- Pockets
- 9 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase (EC 2.4.1.227) | protein | 347 | 39% helix, 15% strand | A0A1E3MA13 |
| B | Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase (EC 2.4.1.227) | protein | 332 | 42% helix, 17% strand | A0A1E3MA13 |
| C | Udp-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase (EC 2.4.1.227) | protein | 343 | 42% helix, 17% strand | A0A1E3MA13 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 960 | 0.81 | 0.82 | 106 | empty |
| 2 | 932 | 0.78 | 0.80 | 96 | empty |
| 3 | 469 | 0.61 | 0.75 | 61 | empty |
| 4 | 182 | 0.53 | 0.78 | 32 | empty |
| 5 | 187 | 0.49 | 0.76 | 25 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1212 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 826 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 638 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7D1I · Crystal structure of acinetobacter baumannii MurG · 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 A0A1E3MA13
- Elsewhere: RCSB PDB 7D1I · PDBe 7D1I · UniProt A0A1E3MA13
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