MolNFT v1 · #53930 · protein

Structure of the mutant D206N of phycoerythrobilin synthase pebs from the cyanophage P-SSM2 in complex with bound substrate biliverdin ixa

2X9J: “Structure of the mutant D206N of phycoerythrobilin synthase pebs from the cyanophage P-SSM2 in complex with…”. X-ray diffraction, 1 ligand (BLA), 3 pockets (best druggability 0.74). MolNFT v1 #53930 on GenesisL1: 3D structure…

PDB: 2X9J
Type: protein
Length: 424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phycoerythrobilin synthase
EC: 1.3.7.6
UniProt: Q58MU6
Ligands: BLA
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phycoerythrobilin synthase (EC 1.3.7.6)	protein	212	33% helix, 33% strand	Q58MU6

Ligands and binding sites

BLA · Biliverdine IX alpha · ligand · 2 copies · chains A, B

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	268	0.74	0.86	36	BLA
2	255	0.73	0.87	35	BLA
3	68	0.32	0.75	8	empty

Interfaces

1 interface between chains.

A–B · 625 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

2X9J · Structure of the Mutant D206N of Phycoerythrobilin Synthase PebS from the Cyanophage… · 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 Q58MU6
Elsewhere: RCSB PDB 2X9J · PDBe 2X9J · UniProt Q58MU6

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