MolNFT v1 · #152996 · protein

Crystal structure of a cyclase mutant in apo form

6J03 · 12-epi-hapalindole U synthase: “Crystal structure of a cyclase mutant in apo form”. X-ray diffraction, 2 ligands (0HZ, CA), 1 pocket (best druggability 0.76). MolNFT v1 #152996 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6J03
Type: protein
Length: 200 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 12-epi-hapalindole U synthase
UniProt: V5TER4
Ligands: 0HZ, CA
Pockets: 1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	12-epi-hapalindole U synthase	protein	200	0% helix, 43% strand	V5TER4

Ligands and binding sites

0HZ · amino({3-[(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]propyl}amino)methaniminium · ligand · chains A
CA · Calcium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	202	0.76	0.91	23	0HZ

Compared structures

6J03 · Crystal structure of a cyclase mutant in apo form · 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 V5TER4
Elsewhere: RCSB PDB 6J03 · PDBe 6J03 · UniProt V5TER4

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