MolNFT v1 · #181825 · protein
Crystal structure of HIP1 (RV2224C) mutant - T466A/S228DHA (dehydroalanine)
7M7C · Carboxylesterase a: “Crystal structure of HIP1 (RV2224C) mutant - T466A/S228DHA (dehydroalanine)”. X-ray diffraction, 1 pocket (best druggability 0.83). MolNFT v1 #181825 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7M7C
- Type
- protein
- Length
- 463 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylesterase a
- EC
- 3.1.1.-
- UniProt
- P9WHR3
- Pockets
- 1 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxylesterase a (EC 3.1.1.-) | protein | 463 | 46% helix, 14% strand | P9WHR3 |
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 | 797 | 0.83 | 0.86 | 100 | empty |
Modifications
Observed in the structure: 5 disulfide, 1 modified (disulfide, nonstandard).
Compared structures
- 7M7C · Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) · the same entry in another collection · chain A against A, TM-score 1.00
- P9WHR3 · AlphaFold monomer V2.0 prediction for carboxylesterase a (P9WHR3) · 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 P9WHR3
- Elsewhere: RCSB PDB 7M7C · PDBe 7M7C · UniProt P9WHR3
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