MolNFT v1 · #99407 · protein

Crystal structure of plp-dependent cyclase orfr in complex with plp

4M2K · Aminotransferase: “Crystal structure of plp-dependent cyclase orfr in complex with plp”. X-ray diffraction, 1 ligand (PLP), 3 pockets (best druggability 0.57). MolNFT v1 #99407 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4M2K
Type: protein
Length: 382 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aminotransferase
UniProt: G9MBV4
Ligands: PLP
Pockets: 3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aminotransferase	protein	382	46% helix, 15% strand	G9MBV4

Ligands and binding sites

PLP · Pyridoxal-5'-phosphate · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	235	0.57	0.79	36	PLP
2	205	0.51	0.77	31	empty
3	104	0.35	0.73	21	empty

Compared structures

4M2K · Crystal structure of PLP-dependent cyclase OrfR in complex with PLP · 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 G9MBV4
Elsewhere: RCSB PDB 4M2K · PDBe 4M2K · UniProt G9MBV4

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