MolNFT v1 · #50341 · protein
Crystal structure analysis of cpa-2-benzyl-3-nitropropanoic acid complex
2RFH · Carboxypeptidase A1: “Crystal structure analysis of cpa-2-benzyl-3-nitropropanoic acid complex”. X-ray diffraction, 2 ligands (23N, ZN), 2 pockets (best druggability 0.60). MolNFT v1 #50341 on GenesisL1: 3D structure, binding sites…
- PDB
- 2RFH
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxypeptidase A1
- EC
- 3.4.17.1
- UniProt
- A6H6Y4
- Ligands
- 23N, ZN
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxypeptidase A1 (EC 3.4.17.1) | protein | 307 | 38% helix, 17% strand | A6H6Y4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 156 | 0.60 | 0.84 | 28 | 23N |
| 2 | 64 | 0.39 | 0.80 | 19 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 2RFH · Crystal Structure Analysis of CPA-2-benzyl-3-nitropropanoic acid complex · 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 A6H6Y4
- Elsewhere: RCSB PDB 2RFH · PDBe 2RFH · UniProt A6H6Y4
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