MolNFT v1 · #170761 · protein
Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin
6YI6: “Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin”. X-ray diffraction, 4 ligands (ORK, CA, CS). MolNFT v1 #170761 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YI6
- Type
- protein
- Length
- 316 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P43133
- Ligands
- ORK, CA, CS, ZN
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | — | protein | 316 | — | P43133 |
Ligands and binding sites
- ORK · (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino) ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid · ligand · chains E
- CA · Calcium ion · metal · 4 copies · chains E
- CS · Cesium ion · metal · 2 copies · chains E
- ZN · Zinc ion · metal · chains E
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6YI6 · Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin · the same entry in another collection · chain E against E, TM-score 1.00
- P43133 · AlphaFold monomer V2.0 prediction for thermolysin (P43133) · a predicted model of the same protein · chain E 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 P43133
- Elsewhere: RCSB PDB 6YI6 · PDBe 6YI6 · UniProt P43133
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