MolNFT v1 · #139879 · protein

Crystal structures of full-length fixj from B. japonicum crystallized in space group P212121

5XT2 · Response regulator fixj: “Crystal structures of full-length fixj from B. japonicum crystallized in space group P212121”. X-ray diffraction, 1 ligand (MG), 8 pockets (best druggability 0.63). MolNFT v1 #139879 on GenesisL1: 3D…

PDB: 5XT2
Type: protein
Length: 1,015 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Response regulator fixj
UniProt: A0A0M9B7W0
Ligands: MG
Pockets: 8 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 58% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Response regulator fixj	protein	202	60% helix, 13% strand	A0A0M9B7W0
B, C	Response regulator fixj	protein	204	58% helix, 12% strand	A0A0M9B7W0
E	Response regulator fixj	protein	203	55% helix, 14% strand	A0A0M9B7W0

Ligands and binding sites

MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, E
GOL · Glycerol · additive · 8 copies · chains A, C, D
FMT · Formic acid · additive · 7 copies · chains A, C, B, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	577	0.63	0.75	56	MG
2	161	0.48	0.77	18	empty
3	155	0.47	0.77	31	empty
4	117	0.45	0.78	25	FMT
5	69	0.33	0.76	17	empty

Interfaces

7 interfaces between chains.

B–D · 942 Å² buried · 7 hydrogen bonds · protein-protein
A–C · 904 Å² buried · 10 hydrogen bonds · protein-protein
C–E · 571 Å² buried · 7 hydrogen bonds · protein-protein
A–E · 346 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 272 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5XT2 · Crystal structures of full-length FixJ from B. japonicum crystallized in space group… · 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 A0A0M9B7W0
Elsewhere: RCSB PDB 5XT2 · PDBe 5XT2 · UniProt A0A0M9B7W0

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