MolNFT v1 · #151432 · protein
Crystal structure of wild-type idmh, a putative polyketide cyclase from streptomyces antibioticus
6HNN · Putative polyketide cyclase idmh: “Crystal structure of wild-type idmh, a putative polyketide cyclase from streptomyces antibioticus”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #151432 on GenesisL1: 3D…
- PDB
- 6HNN
- Type
- protein
- Length
- 1,384 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative polyketide cyclase idmh
- UniProt
- C5HV10
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 5 distinct chains · 32% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative polyketide cyclase idmh | protein | 141 | 31% helix, 38% strand | C5HV10 |
| B, C | Putative polyketide cyclase idmh | protein | 138 | 32% helix, 39% strand | C5HV10 |
| D, H, I | Putative polyketide cyclase idmh | protein | 139 | 32% helix, 39% strand | C5HV10 |
| E, G, J | Putative polyketide cyclase idmh | protein | 138 | 33% helix, 39% strand | C5HV10 |
| F | Putative polyketide cyclase idmh | protein | 136 | 32% helix, 40% strand | C5HV10 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 927 | 0.87 | 0.89 | 86 | empty |
| 2 | 250 | 0.85 | 0.96 | 27 | empty |
| 3 | 267 | 0.84 | 0.96 | 28 | empty |
| 4 | 924 | 0.82 | 0.84 | 82 | empty |
| 5 | 375 | 0.78 | 0.87 | 39 | empty |
Interfaces
17 interfaces between chains.
- E–F · 1107 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1103 Ų buried · 12 hydrogen bonds · protein-protein
- G–H · 1100 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 1081 Ų buried · 12 hydrogen bonds · protein-protein
- I–J · 1012 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6HNN · Crystal structure of wild-type IdmH, a putative polyketide cyclase from Streptomyces… · 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 C5HV10
- Elsewhere: RCSB PDB 6HNN · PDBe 6HNN · UniProt C5HV10
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