MolNFT v1 · #174631 · protein
Crystal structure of the starter condensation domain of rhizomide synthetase rzma mutant R148A
7C1K · Non-ribosomal peptide synthetase modules: “Crystal structure of the starter condensation domain of rhizomide synthetase rzma mutant R148A”. X-ray diffraction, 16 pockets (best druggability 0.84). MolNFT v1 #174631 on GenesisL1: 3D…
- PDB
- 7C1K
- Type
- protein
- Length
- 1,614 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-ribosomal peptide synthetase modules
- EC
- 6.3.2.-
- UniProt
- E5ATN9
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Non-ribosomal peptide synthetase modules (EC 6.3.2.-) | protein | 409 | 35% helix, 25% strand | E5ATN9 |
| B | Non-ribosomal peptide synthetase modules (EC 6.3.2.-) | protein | 397 | 39% helix, 22% strand | E5ATN9 |
| D | Non-ribosomal peptide synthetase modules (EC 6.3.2.-) | protein | 399 | 38% helix, 23% strand | E5ATN9 |
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1068 | 0.84 | 0.85 | 109 | empty |
| 2 | 1128 | 0.84 | 0.85 | 121 | empty |
| 3 | 918 | 0.84 | 0.85 | 98 | empty |
| 4 | 1158 | 0.82 | 0.83 | 107 | empty |
| 5 | 382 | 0.74 | 0.85 | 53 | empty |
Interfaces
4 interfaces between chains.
- A–D · 603 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 475 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 423 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 24 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7C1K · Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant… · 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 E5ATN9
- Elsewhere: RCSB PDB 7C1K · PDBe 7C1K · UniProt E5ATN9
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