MolNFT v1 · #97823 · protein
Crystal structure of cobt E317A complexed with its reaction products
4KQI · Nicotinate-nucleotide--dimethylbenzimidazole…: “Crystal structure of cobt E317A complexed with its reaction products”. X-ray diffraction, 2 ligands (RBZ, NIO), 1 pocket (best druggability 0.67). MolNFT v1 #97823 on GenesisL1: 3D…
- PDB
- 4KQI
- Type
- protein
- Length
- 340 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
- EC
- 2.4.2.21
- UniProt
- Q05603
- Ligands
- RBZ, NIO
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase (EC 2.4.2.21) | protein | 340 | 52% helix, 11% strand | Q05603 |
Ligands and binding sites
- RBZ · Alpha-ribazole-5'-phosphate · ligand · chains A
- NIO · Nicotinic acid · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
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 | 194 | 0.67 | 0.86 | 39 | RBZ, NIO |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4KQI · Crystal structure of CobT E317A complexed with its reaction products · the same entry in another collection · chain A against A, TM-score 1.00
- Q05603 · AlphaFold monomer V2.0 prediction for nicotinate-nucleotide-- dimethylbenzimidazole… · a predicted model of the same protein · 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 Q05603
- Elsewhere: RCSB PDB 4KQI · PDBe 4KQI · UniProt Q05603
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