MolNFT v1 · #73850 · protein

Crystal structure of mycobacterium tuberculosis reljk (RV3357-RV3358- RELBE3)

3OEI · Relj (antitoxin RV3357): “Crystal structure of mycobacterium tuberculosis reljk (RV3357-RV3358- RELBE3)”. X-ray diffraction, 9 pockets (best druggability 0.72). MolNFT v1 #73850 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3OEI
Type: protein
Length: 1,356 residues
Chains: 16
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Relj (antitoxin RV3357); Relk (toxin RV3358)
EC: 3.1.-.-
UniProt: P65067, P64528
Pockets: 9 · best druggability 0.72

Structure

x-ray diffraction · 10 distinct chains · 56% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Relj (antitoxin RV3357)	protein	87	62% helix, 16% strand	P65067
B	Relj (antitoxin RV3357)	protein	91	59% helix, 15% strand	P65067
C, D, H	Relk (toxin RV3358) (EC 3.1.-.-)	protein	85	38% helix, 26% strand	P64528
E	Relj (antitoxin RV3357)	protein	82	66% helix, 16% strand	P65067
F, J	Relj (antitoxin RV3357)	protein	86	63% helix, 16% strand	P65067
G, O	Relk (toxin RV3358) (EC 3.1.-.-)	protein	83	39% helix, 24% strand	P64528
I	Relj (antitoxin RV3357)	protein	83	66% helix, 16% strand	P65067
K, L, P	Relk (toxin RV3358) (EC 3.1.-.-)	protein	84	38% helix, 26% strand	P64528
M	Relj (antitoxin RV3357)	protein	85	65% helix, 15% strand	P65067
N	Relj (antitoxin RV3357)	protein	83	61% helix, 17% strand	P65067

Ligands and binding sites

FLC · Citrate anion · additive · chains C, K

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

Pockets

9 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	991	0.72	0.76	92	empty
2	817	0.66	0.74	89	FLC
3	113	0.43	0.77	27	empty
4	101	0.41	0.77	23	empty
5	97	0.39	0.76	22	empty

Interfaces

39 interfaces between chains.

B–D · 1856 Å² buried · 32 hydrogen bonds · protein-protein
A–C · 1742 Å² buried · 28 hydrogen bonds · protein-protein
F–H · 1680 Å² buried · 26 hydrogen bonds · protein-protein
J–L · 1670 Å² buried · 23 hydrogen bonds · protein-protein
M–O · 1647 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (methylation).

Compared structures

3OEI · Crystal structure of Mycobacterium tuberculosis RelJK (Rv3357-Rv3358-RelBE3) · 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 P65067
Every structure of UniProt P64528
Elsewhere: RCSB PDB 3OEI · PDBe 3OEI · UniProt P65067 · UniProt P64528

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.