MolNFT v1 · #162978 · protein

Truncated norcoclaurine synthase with reaction intermediate mimic

6RP3 · S-norcoclaurine synthase: “Truncated norcoclaurine synthase with reaction intermediate mimic”. X-ray diffraction, 1 ligand (KCZ), 1 pocket (best druggability 0.72). MolNFT v1 #162978 on GenesisL1: 3D structure, binding sites and…

PDB: 6RP3
Type: protein
Length: 160 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-norcoclaurine synthase
EC: 4.2.1.78
UniProt: Q67A25
Ligands: KCZ
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	S-norcoclaurine synthase (EC 4.2.1.78)	protein	160	28% helix, 43% strand	Q67A25

Ligands and binding sites

KCZ · 4-[2-[[(2~{R})-2-phenylpropyl]amino]ethyl]benzene-1,2-diol · ligand · chains A
EDO · 1,2-ethanediol · additive · 3 copies · 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	216	0.72	0.87	33	KCZ

Compared structures

6RP3 · Truncated Norcoclaurine synthase with reaction intermediate mimic · the same entry in another collection · chain A against A, TM-score 1.00
Q67A25 · AlphaFold monomer V2.0 prediction for S-norcoclaurine synthase (Q67A25) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q67A25
Elsewhere: RCSB PDB 6RP3 · PDBe 6RP3 · UniProt Q67A25

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