MolNFT v1 · #122131 · protein

Crystal structure of N. vectensis camkii-a hub

5IG4 · Predicted protein: “Crystal structure of N. vectensis camkii-a hub”. X-ray diffraction, 14 pockets (best druggability 0.71). MolNFT v1 #122131 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5IG4
Type: protein
Length: 907 residues
Chains: 7
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Predicted protein
UniProt: A7T0H5
Pockets: 14 · best druggability 0.71

Structure

x-ray diffraction · 5 distinct chains · 32% helix, 47% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Predicted protein	protein	129	33% helix, 47% strand	A7T0H5
B, D, G	Predicted protein	protein	130	32% helix, 48% strand	A7T0H5
C	Predicted protein	protein	128	33% helix, 47% strand	A7T0H5
E	Predicted protein	protein	131	32% helix, 46% strand	A7T0H5
F	Predicted protein	protein	129	30% helix, 48% strand	A7T0H5

Ligands and binding sites

GOL · Glycerol · additive · 2 copies · chains B, A, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	501	0.71	0.80	34	empty
2	448	0.71	0.81	33	empty
3	520	0.70	0.79	33	empty
4	419	0.69	0.81	32	empty
5	445	0.66	0.78	29	empty

Interfaces

13 interfaces between chains.

E–F · 1100 Å² buried · 13 hydrogen bonds · protein-protein
D–G · 1081 Å² buried · 15 hydrogen bonds · protein-protein
A–C · 1078 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 600 Å² buried · 6 hydrogen bonds · protein-protein
B–E · 597 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

5IG4 · Crystal structure of N. vectensis CaMKII-A hub · 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 A7T0H5
Elsewhere: RCSB PDB 5IG4 · PDBe 5IG4 · UniProt A7T0H5

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