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Crystal structure of [TM][CUATX1]3

Analyse Crystal structure of [TM][CUATX1]3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3K7R
Type: protein
Length: 855 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metal homeostasis factor ATX1
UniProt: P38636
Ligands: 4SM, MLT, CU
Pockets: 10 · best druggability 0.73

Structure

x-ray diffraction · 5 distinct chains · 30% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Metal homeostasis factor ATX1	protein	70	30% helix, 33% strand	P38636
B, C, D, E, F, G, J, K	Metal homeostasis factor ATX1	protein	72	31% helix, 36% strand	P38636
H	Metal homeostasis factor ATX1	protein	70	30% helix, 37% strand	P38636
I	Metal homeostasis factor ATX1	protein	71	30% helix, 37% strand	P38636
L	Metal homeostasis factor ATX1	protein	68	31% helix, 32% strand	P38636

Ligands and binding sites

4SM · Tetrathiomolybdate · ligand · 4 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
MLT · D-malate · ligand · 2 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
CU · Copper (II) ion · metal · 16 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

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

Pockets

10 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	707	0.73	0.79	58	empty
2	566	0.72	0.80	48	empty
3	620	0.70	0.78	44	empty
4	705	0.70	0.77	49	empty
5	736	0.69	0.76	47	empty

Interfaces

25 interfaces between chains.

G–L · 334 Å² buried · 4 hydrogen bonds · protein-protein
H–K · 272 Å² buried · 7 hydrogen bonds · protein-protein
A–D · 266 Å² buried · 4 hydrogen bonds · protein-protein
I–J · 260 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 253 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

3K7R · Crystal structure of [TM][CuAtx1]3 · the same entry in another collection · chain L against L, 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 P38636
Elsewhere: RCSB PDB 3K7R · PDBe 3K7R · UniProt P38636

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