MolNFT v1 · #67624 · protein
Crystal structure of ketosteroid isomerase Y16S/D40N from pseudomonas putida with bound equilenin
3IPT · Steroid delta-isomerase: “Crystal structure of ketosteroid isomerase Y16S/D40N from pseudomonas putida with bound equilenin”. X-ray diffraction, 1 ligand (EQU), 6 pockets (best druggability 0.80). MolNFT v1 #67624 on GenesisL1: 3D…
- PDB
- 3IPT
- Type
- protein
- Length
- 493 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Steroid delta-isomerase
- EC
- 5.3.3.1
- UniProt
- P07445
- Ligands
- EQU
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Steroid delta-isomerase (EC 5.3.3.1) | protein | 124 | 31% helix, 41% strand | P07445 |
| B, C, D | Steroid delta-isomerase (EC 5.3.3.1) | protein | 123 | 31% helix, 39% strand | P07445 |
Ligands and binding sites
- EQU · Equilenin · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 692 | 0.80 | 0.84 | 102 | empty |
| 2 | 200 | 0.65 | 0.84 | 27 | EQU |
| 3 | 214 | 0.64 | 0.82 | 30 | EQU |
| 4 | 188 | 0.63 | 0.83 | 29 | EQU |
| 5 | 167 | 0.63 | 0.84 | 27 | EQU |
Interfaces
5 interfaces between chains.
- C–D · 1088 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1076 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 447 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 345 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 281 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3IPT · Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound… · 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 P07445
- Elsewhere: RCSB PDB 3IPT · PDBe 3IPT · UniProt P07445
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.