MolNFT v1 · #47963 · protein

Crystal structure of rbcx point mutant Y17A/Y20L

2PEJ · ORF134: “Crystal structure of rbcx point mutant Y17A/Y20L”. X-ray diffraction, 4 pockets (best druggability 0.44). MolNFT v1 #47963 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2PEJ
Type: protein
Length: 652 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ORF134
UniProt: Q44177
Pockets: 4 · best druggability 0.44

Structure

x-ray diffraction · 6 distinct chains · 85% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ORF134	protein	109	84% helix, 0% strand	Q44177
B	ORF134	protein	108	84% helix, 0% strand	Q44177
C	ORF134	protein	109	89% helix, 0% strand	Q44177
D	ORF134	protein	107	88% helix, 0% strand	Q44177
E	ORF134	protein	110	78% helix, 0% strand	Q44177
F	ORF134	protein	109	87% helix, 0% strand	Q44177

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	118	0.44	0.77	20	empty
2	74	0.43	0.80	20	empty
3	101	0.39	0.76	16	empty
4	62	0.27	0.72	20	empty

Interfaces

7 interfaces between chains.

A–B · 2305 Å² buried · 18 hydrogen bonds · protein-protein
C–D · 2133 Å² buried · 16 hydrogen bonds · protein-protein
E–F · 2103 Å² buried · 15 hydrogen bonds · protein-protein
C–F · 410 Å² buried · 9 hydrogen bonds · protein-protein
B–D · 272 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

2PEJ · Crystal structure of RbcX point mutant Y17A/Y20L · the same entry in another collection · chain F against F, TM-score 1.00
Q44177 · AlphaFold monomer V2.0 prediction for rubisco chaperone rbcx (Q44177) · a predicted model of the same protein · chain B 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 Q44177
Elsewhere: RCSB PDB 2PEJ · PDBe 2PEJ · UniProt Q44177

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