MolNFT v1 · #172341 · protein

MB_CRS6-1 bound to crsas-6_N

6ZZG · Centriole protein: “MB_CRS6-1 bound to crsas-6_N”. X-ray diffraction, 14 pockets (best druggability 0.79). MolNFT v1 #172341 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6ZZG
Type: protein
Length: 1,428 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Centriole protein; MB_CRS6-15
UniProt: A9CQL4
Pockets: 14 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Centriole protein	protein	145	17% helix, 54% strand	A9CQL4
G, H, J, K	MB_CRS6-15	protein	93	0% helix, 51% strand	—
I	MB_CRS6-15	protein	92	0% helix, 49% strand	—
L	MB_CRS6-15	protein	94	0% helix, 47% strand	—

Ligands and binding sites

ACT · Acetate ion · additive · 5 copies · chains A, B, D, L

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

Pockets

14 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	1186	0.79	0.81	159	empty
2	653	0.67	0.76	55	ACT
3	95	0.47	0.81	23	empty
4	108	0.47	0.80	26	empty
5	138	0.39	0.74	21	empty

Interfaces

20 interfaces between chains.

E–F · 865 Å² buried · 12 hydrogen bonds · protein-protein
A–D · 855 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 848 Å² buried · 11 hydrogen bonds · protein-protein
B–J · 565 Å² buried · 10 hydrogen bonds · protein-protein
F–G · 553 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6ZZG · MB_CRS6-1 bound to CrSAS-6_N · 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 A9CQL4
Elsewhere: RCSB PDB 6ZZG · PDBe 6ZZG · UniProt A9CQL4

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