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Crystal structure of a putative 4-oxalocrotonate tautomerase from nostoc sp. pcc 7120

Analyse Crystal structure of a putative 4-oxalocrotonate tautomerase from nostoc sp.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4LKB
Type: protein
Length: 726 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein ALR4568/PUTATIVE 4-oxalocrotonate tautomerase
UniProt: Q8YNJ7
Ligands: SO4
Pockets: 7 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
F, C, D, A	Hypothetical protein ALR4568/PUTATIVE 4-oxalocrotonate tautomerase	protein	121	42% helix, 31% strand	Q8YNJ7
B	Hypothetical protein ALR4568/PUTATIVE 4-oxalocrotonate tautomerase	protein	122	42% helix, 31% strand	Q8YNJ7
E	Hypothetical protein ALR4568/PUTATIVE 4-oxalocrotonate tautomerase	protein	120	43% helix, 31% strand	Q8YNJ7

Ligands and binding sites

SO4 · Sulfate ion · ion · 5 copies · chains F, A, B, C, D, E
GOL · Glycerol · additive · 4 copies · chains F, C, D, E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	964	0.82	0.84	96	empty
2	57	0.67	0.95	12	empty
3	248	0.53	0.76	38	empty
4	177	0.51	0.77	18	empty
5	196	0.48	0.75	18	empty

Interfaces

12 interfaces between chains.

F–D · 1279 Å² buried · 27 hydrogen bonds · protein-protein
C–A · 1279 Å² buried · 23 hydrogen bonds · protein-protein
B–A · 1278 Å² buried · 28 hydrogen bonds · protein-protein
B–C · 1275 Å² buried · 26 hydrogen bonds · protein-protein
F–E · 1262 Å² buried · 23 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

4LKB · Crystal structure of a putative 4-Oxalocrotonate Tautomerase from Nostoc sp. PCC 7120 · the same entry in another collection · chain F against F, 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 Q8YNJ7
Elsewhere: RCSB PDB 4LKB · PDBe 4LKB · UniProt Q8YNJ7

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