MolNFT v1 · #162344 · protein
Major aspartyl peptidase 1 from C. neoformans in complex with inhibitor LP258
6R61: “Major aspartyl peptidase 1 from C. neoformans in complex with inhibitor LP258”. X-ray diffraction, 5 ligands (JT8, NAG, NA). MolNFT v1 #162344 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6R61
- Type
- protein
- Length
- 350 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- J9VS02
- Ligands
- JT8, NAG, NA, SO4, CL
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 350 | — | J9VS02 |
Ligands and binding sites
- JT8 · (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-(pyridin-2-ylmethyl)-1,4,9-triazacyclotricosane-2,5, 10-trione · ligand · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A
- PGE · Triethylene glycol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6R61 · Major aspartyl peptidase 1 from C. neoformans in complex with Inhibitor LP258 · 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 J9VS02
- Elsewhere: RCSB PDB 6R61 · PDBe 6R61 · UniProt J9VS02
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