MolNFT v1 · #138640 · protein

Crystal structure HPIC1 in C2 space group

5WPR · 12-epi-hapalindole C/U synthase: “Crystal structure HPIC1 in C2 space group”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.80). MolNFT v1 #138640 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5WPR
Type: protein
Length: 200 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 12-epi-hapalindole C/U synthase
UniProt: A0A076NBW8
Ligands: CA
Pockets: 1 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	12-epi-hapalindole C/U synthase	protein	200	0% helix, 45% strand	A0A076NBW8

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A
TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
DMS · Dimethyl sulfoxide · additive · 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	166	0.80	0.95	24	TRS, DMS

Compared structures

5WPR · Crystal structure HpiC1 in C2 space group · 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 A0A076NBW8
Elsewhere: RCSB PDB 5WPR · PDBe 5WPR · UniProt A0A076NBW8

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