MolNFT v1 · #107711 · protein
Crystal structure of 3P in complex with tafcpb
4UIB · Carboxypeptidase B: “Crystal structure of 3P in complex with tafcpb”. X-ray diffraction, 2 ligands (GWX, ZN), 1 pocket (best druggability 0.59). MolNFT v1 #107711 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4UIB
- Type
- protein
- Length
- 305 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxypeptidase B
- EC
- 3.4.17.2
- UniProt
- P09955
- Ligands
- GWX, ZN
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxypeptidase B (EC 3.4.17.2) | protein | 305 | 39% helix, 17% strand | P09955 |
Ligands and binding sites
- GWX · (2S)-6-amino-2-[[(1R)-1-(cyclohexylmethyl)-2-oxo-2-[[(2S)-1,7,7-trimethylnorbornan-2-yl]amino]ethyl]arbamoylamino]hexanoic acid · ligand · chains A
- ZN · Zinc ion · metal · 3 copies · chains A
- GOL · Glycerol · additive · 4 copies · chains A
- ACT · Acetate ion · 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 | 68 | 0.59 | 0.90 | 20 | GWX |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
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 P09955
- Elsewhere: RCSB PDB 4UIB · PDBe 4UIB · UniProt P09955
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