MolNFT v1 · #12932 · protein
Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (bphc) in complex with 2,3-dihydroxybiphenyl at 1.45 a resolution
1KW6: “Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (bphc) in complex with 2,3-dihydroxybiphenyl at 1.45 a…”. X-ray diffraction, 2 ligands (BPY, FE2), 1 pocket (best druggability 0.57). MolNFT v1 #12932 on GenesisL1: 3D…
- PDB
- 1KW6
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2,3-dihydroxybiphenyl dioxygenase
- EC
- 1.13.11.39
- UniProt
- P17297
- Ligands
- BPY, FE2
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 2,3-dihydroxybiphenyl dioxygenase (EC 1.13.11.39) | protein | 288 | 20% helix, 38% strand | P17297 |
Ligands and binding sites
- BPY · Biphenyl-2,3-diol · ligand · chains B
- FE2 · Fe (II) ion · metal · chains B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.57 | 0.80 | 30 | FE2, BPY |
Compared structures
- 1KW6 · Crystal structure of 2,3-dihydroxybiphenyl dioxygenase (BphC) in complex with… · the same entry in another collection · chain B against B, TM-score 1.00
- P17297 · AlphaFold monomer V2.0 prediction for biphenyl-2,3-diol 1,2-dioxygenase (P17297) · a predicted model of the same protein · chain B 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 P17297
- Elsewhere: RCSB PDB 1KW6 · PDBe 1KW6 · UniProt P17297
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